硫代苯甲酸甲酯（CAS 5925-68-8）：分子式 C8H8OS、分子量 152.22。
| CAS号 | 5925-68-8 |
|---|---|
| 分子式 | C8H8OS |
| 分子量 | 152.22 |
| 沸点 | 121.00 to 122.00 °C. @ 22.00 mm Hg |
| LogP | 2.3 |
硫代苯甲酸甲酯 是一种化工化合物，登记 CAS 号为 5925-68-8，分子式 C8H8OS（分子量 152.22）。
登记 CAS 号：5925-68-8
其分子式 C8H8OS 由 8 个碳、8 个氢、1 个氧、1 个硫 组成。
别名/同义词：硫代苯甲酸甲酯 · S-Methyl benzothioate
硫代苯甲酸甲酯 的 CAS 登记号为 5925-68-8。
分子式 C8H8OS，分子量 152.22。
别名/同义词：硫代苯甲酸甲酯、S-Methyl benzothioate。
硫代苯甲酸甲酯（CAS 5925-68-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 5925-68-8 |
|---|---|
| PubChem CID | 80024 |
| Molecular formula | C8H8OS |
| Molecular weight | 152.03 g/mol |
| IUPAC name | S-methyl benzenecarbothioate |
| InChIKey | RQVWTMCUTHKGCM-UHFFFAOYSA-N |
| UNII (FDA) | TV2YT5FVUQ |
| ChEBI ID | CHEBI:169501 |
| FEMA number | 3857 |
| JECFA number | 504 |
| Molecular Weight | 152.22 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.02958605 |
| Monoisotopic Mass | 152.02958605 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 10 |
| Boiling Point | 121.00 to 122.00 °C. @ 22.00 mm Hg |
|---|---|
| Boiling Point | 121-122 °C (22 mm Hg) |
| Density | 0.826-0.836 |
| Refractive Index | 1.574-1.580 |
S-Methyl benzenecarbothioate; S-Methyl thiobenzoate; (S)-Methyl thiobenzoate; S-methyl benzothioate; Thiobenzoic acid S-methyl ester; methyl thiobenzoate; Benzenecarbothioic acid, S-methyl ester; (METHYLSULFANYL)(PHENYL)METHANONE; Benzoic acid, thio-, S-methyl ester; TV2YT5FVUQ; UNII-TV2YT5FVUQ; methylthiobenzoate; EINECS 227-656-2; methylthiobenzoic acid; thiobenzoic acid methyl ester; METHANETHIOL, BENZOATE
| 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 | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
S-Methyl benzothioate is identified by CAS 5925-68-8, molecular formula C8H8OS and molecular weight 152.03 g/mol. UNII TV2YT5FVUQ; ChEBI 169501; InChIKey RQVWTMCUTHKGCM-UHFFFAOYSA-N. Boiling Point: 121.00 to 122.00 °C. @ 22.00 mm Hg; Boiling Point: 121-122 °C (22 mm Hg); Density: 0.826-0.836.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: S-Methyl benzothioate