2-(2-Chloro-Benzoylamino)-4-Methylsulfanyl-Butyric Acid
[CAS# 65054-72-0]

Identification

• Name: 2-(2-Chloro-Benzoylamino)-4-Methylsulfanyl-Butyric Acid
• Synonyms: (2S)-2-[(2-Chlorobenzoyl)Amino]-4-Methylsulfanyl-Butanoate; (2S)-2-[[(2-Chlorophenyl)-Oxomethyl]Amino]-4-(Methylthio)Butanoate; (2S)-2-[(2-Chlorobenzoyl)Amino]-4-(Methylthio)Butyrate
• Molecular Formula: C₁₂H₁₃ClNO₃S
• Molecular Weight: 286.75
• CAS Registry Number: 65054-72-0
• SMILES: [C@@H](NC(=O)C1=C(Cl)C=CC=C1)(C([O-])=O)CCSC
• InChI: 1S/C12H14ClNO3S/c1-18-7-6-10(12(16)17)14-11(15)8-4-2-3-5-9(8)13/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1
• InChIKey: DCGRSPGEMDYZGI-JTQLQIEISA-M

Properties

• Boiling point: 517.019°C at 760 mmHg (Cal.)
• Flash point: 266.484°C (Cal.)