Thiohippuric acid O-methyl ester
[CAS# 2979-56-8]

Identification

• Name: Thiohippuric acid O-methyl ester
• Synonyms: 2-[[(2-Methylphenyl)-Oxomethyl]Amino]Ethanethioic S-Acid; 2-[(2-Methylbenzoyl)Amino]Thioacetic Acid; 2-[(2-Methylphenyl)Carbonylamino]Ethanethioic S-Acid
• Molecular Formula: C₁₀H₁₁NO₂S
• Molecular Weight: 209.26
• CAS Registry Number: 2979-56-8
• SMILES: C1=C(C(=CC=C1)C(NCC(=O)S)=O)C
• InChI: 1S/C10H11NO2S/c1-7-4-2-3-5-8(7)10(13)11-6-9(12)14/h2-5H,6H2,1H3,(H,11,13)(H,12,14)
• InChIKey: JZMBKLDMLQKQMZ-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 390.103°C at 760 mmHg (Cal.)
• Flash point: 189.728°C (Cal.)