Methyl thionohippurate
2-[(2-methylbenzoyl)amino]ethanethioic S-acid
Also Known As: Nbgmte|Methyl thionohippurate|N-Benzoylglycine methylthio ester|KST-1A4090|[(2-methylbenzoyl)amino]ethanethioic s-acid|Ethanethioic acid, (benzoylamino)-, O-methyl ester|2-[(2-methylbenzoyl)amino]ethanethioic S-acid|{[Hydroxy(2-methylphenyl)methylidene]amino}ethanethioic S-acid
CAS: 2979-56-8
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05106 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Monoisotopic Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 2979-56-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCC(=O)S |
| InChIKey | JZMBKLDMLQKQMZ-UHFFFAOYSA-N |
Product Overview
Methyl thionohippurate (CAS 2979-56-8), with molecular formula C10H11NO2S and molecular weight 209.05106 g/mol. IUPAC: 2-[(2-methylbenzoyl)amino]ethanethioic S-acid.
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.
View MSDS →
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