(3E)-4-Acetamido-5-sulfanyl-3-pentenoic acid
[CAS# 765857-42-9]

Identification

• Name: (3E)-4-Acetamido-5-sulfanyl-3-pentenoic acid
• Synonyms: (E)-4-acetamido-5-mercaptopent-3-enoic acid
• Molecular Formula: C₇H₁₁NO₃S
• Molecular Weight: 189.23
• CAS Registry Number: 765857-42-9
• SMILES: CC(=O)N/C(=C/CC(=O)O)/CS
• InChI: 1S/C7H11NO3S/c1-5(9)8-6(4-12)2-3-7(10)11/h2,12H,3-4H2,1H3,(H,8,9)(H,10,11)/b6-2+
• InChIKey: GIMLTHWXNDOUMZ-QHHAFSJGSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 490.488°C at 760 mmHg (Cal.)
• Flash point: 250.438°C (Cal.)
• Refractive index: 1.536 (Cal.)