Benzoic acid, 2-mercapto-, methyl ester
methyl 2-sulfanylbenzoate
CAS: 4892-02-8
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 27.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 4892-02-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S |
| InChIKey | BAQGCWNPCFABAY-UHFFFAOYSA-N |
📖 Product Overview
Benzoic acid, 2-mercapto-, methyl ester (CAS: 4892-02-8) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.21 g/mol. Its IUPAC systematic name is methyl 2-sulfanylbenzoate.
BAQGCWNPCFABAY-UHFFFAOYSA-N.
SMILES: COC(=O)C1=CC=CC=C1S.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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