4-{[2-(Methylsulfanyl)phenyl]amino}-4-oxobutanoic acid
[CAS# 899016-21-8]

Identification

• Name: 4-{[2-(Methylsulfanyl)phenyl]amino}-4-oxobutanoic acid
• Synonyms: 3-[N-(2-methylthiophenyl)carbamoyl]propanoic acid; 4-{[2-(methylsulfanyl)phenyl]amino}-4-oxobutanoic acid; 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid
• Molecular Formula: C₁₁H₁₃NO₃S
• Molecular Weight: 239.29
• CAS Registry Number: 899016-21-8
• SMILES: CSC1=CC=CC=C1NC(=O)CCC(=O)O
• InChI: 1S/C11H13NO3S/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
• InChIKey: VKNIHGOGNLOYHH-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 488.1±30.0°C at 760 mmHg (Cal.)
• Flash point: 249.0±24.6°C (Cal.)
• Refractive index: 1.599 (Cal.)

Safety Data

• Safety Description: IRRITANT