1-[3-(Methylthio)Phenyl]-5-Oxo-Pyrrolidine-3-Carboxylic Acid
[CAS# 63674-52-2]

Identification

• Name: 1-[3-(Methylthio)Phenyl]-5-Oxo-Pyrrolidine-3-Carboxylic Acid
• Synonyms: (3S)-1-(3-Methylsulfanylphenyl)-5-Oxo-Pyrrolidine-3-Carboxylate; (3S)-1-[3-(Methylthio)Phenyl]-5-Oxo-3-Pyrrolidinecarboxylate; (3S)-5-Keto-1-[3-(Methylthio)Phenyl]Pyrrolidine-3-Carboxylate
• Molecular Formula: C₁₂H₁₂NO₃S
• Molecular Weight: 250.29
• CAS Registry Number: 63674-52-2
• SMILES: [C@H]1(CN(C(=O)C1)C2=CC=CC(=C2)SC)C([O-])=O
• InChI: 1S/C12H13NO3S/c1-17-10-4-2-3-9(6-10)13-7-8(12(15)16)5-11(13)14/h2-4,6,8H,5,7H2,1H3,(H,15,16)/p-1/t8-/m0/s1
• InChIKey: NHDHIMKQGYJLII-QMMMGPOBSA-M

Properties

• Boiling point: 557.673°C at 760 mmHg (Cal.)
• Flash point: 291.071°C (Cal.)