N-(3-Phenylpropionyl)Glycine Methylthio Ester
[CAS# 81811-83-8]

Identification

• Name: N-(3-Phenylpropionyl)Glycine Methylthio Ester
• Synonyms: 2-[[3-(2-Methylphenyl)-1-Oxopropyl]Amino]Ethanethioic S-Acid; 2-[3-(2-Methylphenyl)Propanoylamino]Thioacetic Acid; Ethanethioic Acid, ((1-Oxo-3-Phenylpropyl)Amino)-, O-Methyl Ester
• Molecular Formula: C₁₂H₁₅NO₂S
• Molecular Weight: 237.32
• CAS Registry Number: 81811-83-8
• SMILES: C1=C(C(=CC=C1)CCC(NCC(=O)S)=O)C
• InChI: 1S/C12H15NO2S/c1-9-4-2-3-5-10(9)6-7-11(14)13-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
• InChIKey: VBUPPTSZSYEBML-UHFFFAOYSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 461.086°C at 760 mmHg (Cal.)
• Flash point: 232.657°C (Cal.)