Phenylmethyl 2-Amino-3-(Phenylmethylsulfanyl)Propanoate 4-Methylbenzenesulfonate
[CAS# 73995-16-1]

Identification

• Name: Phenylmethyl 2-Amino-3-(Phenylmethylsulfanyl)Propanoate 4-Methylbenzenesulfonate
• Synonyms: 2-Amino-3-(Phenylmethylthio)Propanoic Acid Phenylmethyl Ester; 4-Methylbenzenesulfonic Acid; 2-Amino-3-(Benzylthio)Propionic Acid Benzyl Ester; 4-Methylbenzenesulfonic Acid; Nsc158706
• Molecular Formula: C₂₄H₂₇NO₅S₂
• Molecular Weight: 473.60
• CAS Registry Number: 73995-16-1
• SMILES: C1=CC=CC=C1COC(C(CSCC2=CC=CC=C2)N)=O.C3=CC(=CC=C3[S](O)(=O)=O)C
• InChI: 1S/C17H19NO2S.C7H8O3S/c18-16(13-21-12-15-9-5-2-6-10-15)17(19)20-11-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,18H2;2-5H,1H3,(H,8,9,10)
• InChIKey: PAOXTFAXWXQKPW-UHFFFAOYSA-N

Properties

• Boiling point: 446.1°C at 760 mmHg (Cal.)
• Flash point: 223.6°C (Cal.)