3-METHYLTHIOPROPYL ISOTHIOCYANATE (CAS 505-79-3) — formula C5H9NS2, molecular weight 147.02 g/mol; category organic chemicals.
3-METHYLTHIOPROPYL ISOTHIOCYANATE (CAS 505-79-3) is a organic chemicals. Its molecular formula C5H9NS2 comprises 5 C, 9 H, 1 N, 2 S atoms. Its molecular weight is about 147.02 g/mol. Reported physicochemical data: boiling point around 254.00 °C. @ 760.00 mm Hg, LogP about 2.6. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 505-79-3 |
|---|---|
| Molecular Formula | C5H9NS2 |
| Molecular Weight | 147.02 g/mol |
| Boiling Point | 254.00 °C. @ 760.00 mm Hg |
| LogP | 2.6 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
3-METHYLTHIOPROPYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 505-79-3 and molecular formula C5H9NS2 (molecular weight 147.02 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 505-79-3
Its molecular formula C5H9NS2 comprises 5 C, 9 H, 1 N, 2 S atoms.
Also known as: 3-METHYLTHIOPROPYL ISOTHIOCYANATE · 3-(甲硫基)丙基异硫氰酸酯
Category: organic chemicals / food flavors
The CAS registry number of 3-METHYLTHIOPROPYL ISOTHIOCYANATE is 505-79-3.
Molecular formula C5H9NS2, molecular weight 147.02 g/mol.
It is also registered under: 3-METHYLTHIOPROPYL ISOTHIOCYANATE, 3-(甲硫基)丙基异硫氰酸酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-METHYLTHIOPROPYL ISOTHIOCYANATE (CAS 505-79-3), compiled from public chemistry databases.
| CAS Registry Number | 505-79-3 |
|---|---|
| PubChem CID | 62351 |
| Molecular formula | C5H9NS2 |
| Molecular weight | 147.02 g/mol |
| IUPAC name | 1-isothiocyanato-3-methylsulfanylpropane |
| InChIKey | LDKSCZJUIURGMW-UHFFFAOYSA-N |
| UNII (FDA) | YTT13BN94Z |
| FEMA number | 3312 |
| JECFA number | 1564 |
| Molecular Weight | 147.3 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 147.01764164 |
| Monoisotopic Mass | 147.01764164 |
| Topological Polar Surface Area | 69.8 |
| Heavy Atom Count | 8 |
| Boiling Point | 254.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 254 °C |
| Density | 1.099-1.105 |
| Refractive Index | 1.560-1.566 |
Iberverin; 505-79-3; 3-(Methylthio)propyl isothiocyanate; 3-Methylthiopropyl isothiocyanate; PROPANE, 1-ISOTHIOCYANATO-3-(METHYLTHIO)-; FEMA No. 3312; 3-Methylmercaptopropyl isothiocyanate; Isothiocyanic acid, 3-(methylthio)propyl ester; YTT13BN94Z; DTXSID3047132; DTXCID1027132; RefChem:789637; 208-020-3; 3-(methylthio)propylisothiocyanate; 1-Isothiocyanato-3-(methylthio)propane; Ibervirin
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H301 (92.7%), H311 (94.3%), H315 (95.4%), H319 (97%), H330 (94.3%), H335 (94.5%), H400 (88.8%), H410 (88.8%) |
|---|
H301 (92.7%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (94.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
3-METHYLTHIOPROPYL ISOTHIOCYANATE is identified by CAS 505-79-3, molecular formula C5H9NS2 and molecular weight 147.02 g/mol. UNII YTT13BN94Z; InChIKey LDKSCZJUIURGMW-UHFFFAOYSA-N. Boiling Point: 254.00 °C. @ 760.00 mm Hg; Boiling Point: 254 °C; Density: 1.099-1.105.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(甲硫基)丙基异硫氰酸酯