N-Acetyl-S-Benzylcysteine
[CAS# 161512-71-6]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Cysteine derivative
• Name: N-Acetyl-S-Benzylcysteine
• Synonyms: 3-(benzylsulfanyl)-2-acetamidopropanoic acid; Alanine, N-acetyl-3-(benzylthio)-; Alanine, N-acetyl-3-(benzylthio)-, l-
• Molecular Formula: C₁₂H₁₅NO₃S
• Molecular Weight: 253.32
• CAS Registry Number: 161512-71-6
• SMILES: O=C(O)C(NC(=O)C)CSCc1ccccc1
• InChI: 1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)
• InChIKey: BJUXDERNWYKSIQ-UHFFFAOYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Melting point: 156°C (Expl.)
• Boiling point: 506.191°C at 760 mmHg (Cal.)
• Flash point: 259.935°C (Cal.)
• Refractive index: 1.579 (Cal.)