2-(Thiocyanomethylthio) benzothiazole (CAS 21564-17-0) — formula C9H6N2S3, molecular weight 238.4; category organic chemicals.
| CAS Number | 21564-17-0 |
|---|---|
| Molecular Formula | C9H6N2S3 |
| Molecular Weight | 238.4 |
| Melting Point | <-10 °C |
| Boiling Point | 191 °C (decomposes) |
| LogP | log Kow = 3.23 at 20 °C |
| Category | Organic Chemicals |
2-(Thiocyanomethylthio) benzothiazole is a carbon-based organic compound with CAS registry number 21564-17-0 and molecular formula C9H6N2S3 (molecular weight 238.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21564-17-0
Its molecular formula C9H6N2S3 comprises 9 C, 6 H, 2 N, 3 S atoms.
Also known as: 2-(Thiocyanomethylthio) benzothiazole · 2-(硫氰甲硫基)苯并噻唑
Category: organic chemicals
The CAS registry number of 2-(Thiocyanomethylthio) benzothiazole is 21564-17-0.
Molecular formula C9H6N2S3, molecular weight 238.4.
It is also registered under: 2-(Thiocyanomethylthio) benzothiazole, 2-(硫氰甲硫基)苯并噻唑.
Category: Organic Chemicals.
Independent reference data for 2-(Thiocyanomethylthio) benzothiazole (CAS 21564-17-0), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-(硫氰甲硫基)苯并噻唑