2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)-3-(Methylthio)Propanoic Acid
[CAS# 55582-20-2]

Identification

• Name: 2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)-3-(Methylthio)Propanoic Acid
• Synonyms: (2R)-2-(1,3-Dioxoisoindolin-2-Yl)-3-Methylsulfanyl-Propanoate; (2R)-2-(1,3-Dioxo-2-Isoindolinyl)-3-(Methylthio)Propanoate; (2R)-2-(1,3-Diketoisoindolin-2-Yl)-3-(Methylthio)Propionate
• Molecular Formula: C₁₂H₁₀NO₄S
• Molecular Weight: 264.28
• CAS Registry Number: 55582-20-2
• SMILES: [C@@H](N1C(=O)C2=C(C1=O)C=CC=C2)(C([O-])=O)CSC
• InChI: 1S/C12H11NO4S/c1-18-6-9(12(16)17)13-10(14)7-4-2-3-5-8(7)11(13)15/h2-5,9H,6H2,1H3,(H,16,17)/p-1/t9-/m0/s1
• InChIKey: VPWARUZIPVCQGT-VIFPVBQESA-M

Properties

• Boiling point: 468.395°C at 760 mmHg (Cal.)
• Flash point: 237.077°C (Cal.)