2-[(2,4-Dichlorobenzoyl)Amino]-4-(Methylthio)Butanoic Acid
[CAS# 65054-77-5]

Identification

• Name: 2-[(2,4-Dichlorobenzoyl)Amino]-4-(Methylthio)Butanoic Acid
• Synonyms: (2S)-2-[(2,4-Dichlorobenzoyl)Amino]-4-Methylsulfanyl-Butanoate; (2S)-2-[[(2,4-Dichlorophenyl)-Oxomethyl]Amino]-4-(Methylthio)Butanoate; (2S)-2-[(2,4-Dichlorobenzoyl)Amino]-4-(Methylthio)Butyrate
• Molecular Formula: C₁₂H₁₂Cl₂NO₃S
• Molecular Weight: 321.20
• CAS Registry Number: 65054-77-5
• SMILES: [C@@H](NC(=O)C1=C(Cl)C=C(Cl)C=C1)(C([O-])=O)CCSC
• InChI: 1S/C12H13Cl2NO3S/c1-19-5-4-10(12(17)18)15-11(16)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1
• InChIKey: FSUHFQWXNRHQLC-JTQLQIEISA-M

Properties

• Boiling point: 516.843°C at 760 mmHg (Cal.)
• Flash point: 266.377°C (Cal.)