2-[[2-(Acetylsulfanylmethyl)-3-Phenylpropanoyl]Amino]Acetic Acid
[CAS# 124735-06-4]

Identification

• Name: 2-[[2-(Acetylsulfanylmethyl)-3-Phenylpropanoyl]Amino]Acetic Acid
• Synonyms: 2-[[2-(Acetylsulfanylmethyl)-3-Phenyl-Propanoyl]Amino]Acetic Acid; 2-[[2-[(Acetylthio)Methyl]-1-Oxo-3-Phenylpropyl]Amino]Acetic Acid; 2-[[2-[(Acetylthio)Methyl]-3-Phenyl-Propanoyl]Amino]Acetic Acid
• Molecular Formula: C₁₄H₁₇NO₄S
• Molecular Weight: 295.35
• CAS Registry Number: 124735-06-4
• SMILES: C1=CC=CC=C1CC(C(NCC(=O)O)=O)CSC(=O)C
• InChI: 1S/C14H17NO4S/c1-10(16)20-9-12(14(19)15-8-13(17)18)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,19)(H,17,18)
• InChIKey: DCMKACHZOPSUHN-UHFFFAOYSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 560.053°C at 760 mmHg (Cal.)
• Flash point: 292.51°C (Cal.)