2-(硫氰甲硫基)苯并噻唑（CAS 21564-17-0）：分子式 C9H6N2S3、分子量 238.4。
| CAS号 | 21564-17-0 |
|---|---|
| 分子式 | C9H6N2S3 |
| 分子量 | 238.4 |
| 熔点 | <-10 °C |
| 沸点 | 191 °C (decomposes) |
| LogP | log Kow = 3.23 at 20 °C |
| 应用领域 | Uses: Industrial antimicrobial used instead of chlorophenols、Used as a wood preservative、marine biocide、and fungicide、[Merck Index] Used as a contact fungicide for barley、cotton、corn、oats、rice、sorghum、sugar beets、safflower、and wheat、in seed treatments for cereals、legumes、and sugar beets、as preservative in paints and leather production、[HSDB] Used as a wood preservative、biocide (pulp & paper mills、sewage systems)、product preservative and slimicide (paper、leather、paint、carpet、textiles、wallpaper)、and seed treatment pesticide、[EPA REDs]、Pulp and Paper Processing [Category: Industry]、Textiles (Fiber & Fabric Manufacturing) [Category: Industry]、Painting (Pigments、Binders、and Biocides) [Category: Paint]、Applying Wood Preservatives [Category: Other]、Farming (Pesticides) [Category: Industry]、Sewer and Wastewater Treatment [Category: Industry]、Leather Tanning and Processing [Category: Industry]、For 2-(benzothiazolylthio)methyl thiocyanate (USEPA、OPP Pesticide Code: 035603) ACTIVE products with label matches.、SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal、state and local authorities must be consulted for currently approved uses.、Antimicrobial agent used as a substitute for chlorophenols in industrial applications.、Wood preservative、fungicide.、TCMTB was first registered as an active ingredient by the United States Environmental Protection Agency (EPA) on January 21、1980. ... TCMTB products are used in commercial、institutional premises and residential and public access areas. As an antimicrobial pesticide、TCMTB is used largely as a materials preservative (e.g.、leather products and hides、pulp、paper products、latex、wallpaper、paints、carpets). TCMTB is a slimicide ... for controlling bacteria、fungi and yeasts、which cause deterioration of paper and paperboard products. TCMTB is also used as a fungicide for commercial and on-farm seed treatment.、For more Uses (Complete) data for 2-(Thiocyanomethylthio)benzothiazole (8 total)、please visit the HSDB record page.、This is a man-made compound that is used as a pesticide.、Methods of Manufacturing: Production: formaldehyde + sodium thiocyanate + 2-mercaptobenzothiazole (chloromethylation、dehydrochlorination)、162.4 g of chloromethyl thiocyanate was added to a soln of 258.5 g 2-mercaptobenzothiazole and 102.8 g sodium ethoxide in 400 mL absolute ethyl alcohol which was cooled to <40 °C while the reaction took place. The mixture was kept at 35-40 °C overnight and 15 days at room temp and filtered. The filtrate plus methylene chloride extractions from the filter cake gave 118 g of 2-(thiocyanomethyl)-benzothiazole. This was combined with 242.1 g of product recovered from the alcohol phase. The product could not be distilled without decomposition but was identified by a strong infrared band at 4.62 microns..、Formulations、Preparations: The National Pesticide Information Retrieval System (NPIRS) identifies 3 companies with active labels for products containing the chemical 2-(thiocyanomethylthio)benzothiazole. To view the complete list of companies、product names and percent 2-(thiocyanomethylthio)benzothiazole in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field.、TCMTB (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 80.0%.、Busan 72 (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 60.0%.、Busan 30 (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 30.0%.、For more Formulations、Preparations (Complete) data for 2-(Thiocyanomethylthio)benzothiazole (28 total)、General Manufacturing Information: Organic booster biocides were recently introduced as alternatives to organotin compounds in antifouling products、after restrictions imposed on the use of tributyltin (TBT) in 1987. Replacement products are generally based on copper metal oxides and organic biocides. This ban has led to an increase in alternative coating products containing the above biocides. The most commonly used biocides in antifouling paints are: Irgarol 1051、diuron、Sea-nine 211、dichlofluanid、chlorothalonil、zinc pyrithione、TCMS (2、3、6-tetrachloro-4-methylsulfonyl) pyridine、TCMTB [2-(thiocyanomethylthio) benzothiazole]、and zineb. Since 1993、several studies have demonstrated the presence of these biocides in European coastal environment as a result of their increased use. More recently、the presence of these biocides was also revealed in waters from Japan、United States、Singapore、Australia and Bermuda. This paper reviews the currently available data on the occurrence of these biocides in the aquatic environment. Some data dealing with the environmental fate、partitioning、behaviour and risk assessment of antifouling paint booster biocides are also reported in order to discuss the detected levels of contamination. |
登记用途：Uses: Industrial antimicrobial used instead of chlorophenols、Used as a wood preservative、marine biocide、and fungicide、[Merck Index] Used as a contact fungicide for barley、cotton、corn、oats、rice、sorghum、sugar beets、safflower、and wheat、in seed treatments for cereals、legumes、and sugar beets、as preservative in paints and leather production、[HSDB] Used as a wood preservative、biocide (pulp & paper mills、sewage systems)、product preservative and slimicide (paper、leather、paint、carpet、textiles、wallpaper)、and seed treatment pesticide、[EPA REDs]、Pulp and Paper Processing [Category: Industry]、Textiles (Fiber & Fabric Manufacturing) [Category: Industry]、Painting (Pigments、Binders、and Biocides) [Category: Paint]、Applying Wood Preservatives [Category: Other]、Farming (Pesticides) [Category: Industry]、Sewer and Wastewater Treatment [Category: Industry]、Leather Tanning and Processing [Category: Industry]、For 2-(benzothiazolylthio)methyl thiocyanate (USEPA、OPP Pesticide Code: 035603) ACTIVE products with label matches.、SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal、state and local authorities must be consulted for currently approved uses.、Antimicrobial agent used as a substitute for chlorophenols in industrial applications.、Wood preservative、fungicide.、TCMTB was first registered as an active ingredient by the United States Environmental Protection Agency (EPA) on January 21、1980. ... TCMTB products are used in commercial、institutional premises and residential and public access areas. As an antimicrobial pesticide、TCMTB is used largely as a materials preservative (e.g.、leather products and hides、pulp、paper products、latex、wallpaper、paints、carpets). TCMTB is a slimicide ... for controlling bacteria、fungi and yeasts、which cause deterioration of paper and paperboard products. TCMTB is also used as a fungicide for commercial and on-farm seed treatment.、For more Uses (Complete) data for 2-(Thiocyanomethylthio)benzothiazole (8 total)、please visit the HSDB record page.、This is a man-made compound that is used as a pesticide.、Methods of Manufacturing: Production: formaldehyde + sodium thiocyanate + 2-mercaptobenzothiazole (chloromethylation、dehydrochlorination)、162.4 g of chloromethyl thiocyanate was added to a soln of 258.5 g 2-mercaptobenzothiazole and 102.8 g sodium ethoxide in 400 mL absolute ethyl alcohol which was cooled to <40 °C while the reaction took place. The mixture was kept at 35-40 °C overnight and 15 days at room temp and filtered. The filtrate plus methylene chloride extractions from the filter cake gave 118 g of 2-(thiocyanomethyl)-benzothiazole. This was combined with 242.1 g of product recovered from the alcohol phase. The product could not be distilled without decomposition but was identified by a strong infrared band at 4.62 microns..、Formulations、Preparations: The National Pesticide Information Retrieval System (NPIRS) identifies 3 companies with active labels for products containing the chemical 2-(thiocyanomethylthio)benzothiazole. To view the complete list of companies、product names and percent 2-(thiocyanomethylthio)benzothiazole in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field.、TCMTB (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 80.0%.、Busan 72 (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 60.0%.、Busan 30 (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 30.0%.、For more Formulations、Preparations (Complete) data for 2-(Thiocyanomethylthio)benzothiazole (28 total)、General Manufacturing Information: Organic booster biocides were recently introduced as alternatives to organotin compounds in antifouling products、after restrictions imposed on the use of tributyltin (TBT) in 1987. Replacement products are generally based on copper metal oxides and organic biocides. This ban has led to an increase in alternative coating products containing the above biocides. The most commonly used biocides in antifouling paints are: Irgarol 1051、diuron、Sea-nine 211、dichlofluanid、chlorothalonil、zinc pyrithione、TCMS (2、3、6-tetrachloro-4-methylsulfonyl) pyridine、TCMTB [2-(thiocyanomethylthio) benzothiazole]、and zineb. Since 1993、several studies have demonstrated the presence of these biocides in European coastal environment as a result of their increased use. More recently、the presence of these biocides was also revealed in waters from Japan、United States、Singapore、Australia and Bermuda. This paper reviews the currently available data on the occurrence of these biocides in the aquatic environment. Some data dealing with the environmental fate、partitioning、behaviour and risk assessment of antifouling paint booster biocides are also reported in order to discuss the detected levels of contamination.。
2-(硫氰甲硫基)苯并噻唑 是一种化工化合物，登记 CAS 号为 21564-17-0，分子式 C9H6N2S3（分子量 238.4）。
登记 CAS 号：21564-17-0
其分子式 C9H6N2S3 由 9 个碳、6 个氢、2 个氮、3 个硫 组成。
别名/同义词：2-(硫氰甲硫基)苯并噻唑 · 2-(Thiocyanomethylthio) benzothiazole
2-(硫氰甲硫基)苯并噻唑 的 CAS 登记号为 21564-17-0。
分子式 C9H6N2S3，分子量 238.4。
别名/同义词：2-(硫氰甲硫基)苯并噻唑、2-(Thiocyanomethylthio) benzothiazole。
登记用途：Uses: Industrial antimicrobial used instead of chlorophenols、Used as a wood preservative、marine biocide、and fungicide、[Merck Index] Used as a contact fungicide for barley、cotton、corn、oats、rice、sorghum、sugar beets、safflower、and wheat、in seed treatments for cereals、legumes、and sugar beets、as preservative in paints and leather production、[HSDB] Used as a wood preservative、biocide (pulp & paper mills、sewage systems)、product preservative and slimicide (paper、leather、paint、carpet、textiles、wallpaper)、and seed treatment pesticide、[EPA REDs]、Pulp and Paper Processing [Category: Industry]、Textiles (Fiber & Fabric Manufacturing) [Category: Industry]、Painting (Pigments、Binders、and Biocides) [Category: Paint]、Applying Wood Preservatives [Category: Other]、Farming (Pesticides) [Category: Industry]、Sewer and Wastewater Treatment [Category: Industry]、Leather Tanning and Processing [Category: Industry]、For 2-(benzothiazolylthio)methyl thiocyanate (USEPA、OPP Pesticide Code: 035603) ACTIVE products with label matches.、SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal、state and local authorities must be consulted for currently approved uses.、Antimicrobial agent used as a substitute for chlorophenols in industrial applications.、Wood preservative、fungicide.、TCMTB was first registered as an active ingredient by the United States Environmental Protection Agency (EPA) on January 21、1980. ... TCMTB products are used in commercial、institutional premises and residential and public access areas. As an antimicrobial pesticide、TCMTB is used largely as a materials preservative (e.g.、leather products and hides、pulp、paper products、latex、wallpaper、paints、carpets). TCMTB is a slimicide ... for controlling bacteria、fungi and yeasts、which cause deterioration of paper and paperboard products. TCMTB is also used as a fungicide for commercial and on-farm seed treatment.、For more Uses (Complete) data for 2-(Thiocyanomethylthio)benzothiazole (8 total)、please visit the HSDB record page.、This is a man-made compound that is used as a pesticide.、Methods of Manufacturing: Production: formaldehyde + sodium thiocyanate + 2-mercaptobenzothiazole (chloromethylation、dehydrochlorination)、162.4 g of chloromethyl thiocyanate was added to a soln of 258.5 g 2-mercaptobenzothiazole and 102.8 g sodium ethoxide in 400 mL absolute ethyl alcohol which was cooled to <40 °C while the reaction took place. The mixture was kept at 35-40 °C overnight and 15 days at room temp and filtered. The filtrate plus methylene chloride extractions from the filter cake gave 118 g of 2-(thiocyanomethyl)-benzothiazole. This was combined with 242.1 g of product recovered from the alcohol phase. The product could not be distilled without decomposition but was identified by a strong infrared band at 4.62 microns..、Formulations、Preparations: The National Pesticide Information Retrieval System (NPIRS) identifies 3 companies with active labels for products containing the chemical 2-(thiocyanomethylthio)benzothiazole. To view the complete list of companies、product names and percent 2-(thiocyanomethylthio)benzothiazole in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field.、TCMTB (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 80.0%.、Busan 72 (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 60.0%.、Busan 30 (Buckman Laboratories、Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 30.0%.、For more Formulations、Preparations (Complete) data for 2-(Thiocyanomethylthio)benzothiazole (28 total)、General Manufacturing Information: Organic booster biocides were recently introduced as alternatives to organotin compounds in antifouling products、after restrictions imposed on the use of tributyltin (TBT) in 1987. Replacement products are generally based on copper metal oxides and organic biocides. This ban has led to an increase in alternative coating products containing the above biocides. The most commonly used biocides in antifouling paints are: Irgarol 1051、diuron、Sea-nine 211、dichlofluanid、chlorothalonil、zinc pyrithione、TCMS (2、3、6-tetrachloro-4-methylsulfonyl) pyridine、TCMTB [2-(thiocyanomethylthio) benzothiazole]、and zineb. Since 1993、several studies have demonstrated the presence of these biocides in European coastal environment as a result of their increased use. More recently、the presence of these biocides was also revealed in waters from Japan、United States、Singapore、Australia and Bermuda. This paper reviews the currently available data on the occurrence of these biocides in the aquatic environment. Some data dealing with the environmental fate、partitioning、behaviour and risk assessment of antifouling paint booster biocides are also reported in order to discuss the detected levels of contamination.。
2-(硫氰甲硫基)苯并噻唑（CAS 21564-17-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 21564-17-0 |
|---|---|
| PubChem CID | 30692 |
| Molecular formula | C9H6N2S3 |
| IUPAC name | 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate |
| UNII (FDA) | 5GE166YVQV |
| Molecular Weight | 238.4 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 237.96931172 |
| Monoisotopic Mass | 237.96931172 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 14 |
| Boiling Point | 191 °C (decomposes) |
|---|---|
| Boiling Point | >120 °C |
| Melting Point | <-10 °C |
| Solubility | In water, 125 mg/L at 24 °C |
| Density | 1.05 at 25 °C (c = 0.30) |
| Vapor Pressure | 0.00000031 [mmHg] |
| Vapor Pressure | 9.0X10-6 mm Hg at 25 °C |
| LogP | log Kow = 3.23 at 20 °C |
| LogP | 3.3 |
| LogP | 3.12 |
21564-17-0; Benthiazole; 2-(Thiocyanomethylthio)benzothiazole; TCMTB; Superdavloxan; Alentisan; Ichiban; Sancelant TMB; Busan 15; Busan 71; Busan 72A; Busan; Delsan 30; Busan 30; Busan 30A; Busan 30I
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS |
|---|
| Reported hazard statements | H302, H315, H317, H319, H330, H400, H410, H312 (19.7%) |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
2-(Thiocyanomethylthio) benzothiazole · CAS 21564-17-0 · C9H6N2S3. UNII 5GE166YVQV. Boiling Point: 191 °C (decomposes); Boiling Point: >120 °C; Melting Point: <-10 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-(Thiocyanomethylthio) benzothiazole