2-Acetamido-3-[(1-Oxo-2,5-Dihydrothiophen-2-Yl)Sulfanyl]Propanoic Acid
[CAS# 143773-87-9]

Identification

• Name: 2-Acetamido-3-[(1-Oxo-2,5-Dihydrothiophen-2-Yl)Sulfanyl]Propanoic Acid
• Synonyms: 2-Acetamido-3-[(1-Oxo-2,5-Dihydrothiophen-2-Yl)Thio]Propanoic Acid; 2-Acetamido-3-[(1-Keto-2,5-Dihydrothiophen-2-Yl)Thio]Propionic Acid; 2,5-Dihydrothiophene Sulfoxide-2-Mercapturic Acid
• Molecular Formula: C₉H₁₃NO₄S₂
• Molecular Weight: 263.33
• CAS Registry Number: 143773-87-9
• SMILES: C(C(C(=O)O)NC(=O)C)SC1[S](=O)CC=C1
• InChI: 1S/C9H13NO4S2/c1-6(11)10-7(9(12)13)5-15-8-3-2-4-16(8)14/h2-3,7-8H,4-5H2,1H3,(H,10,11)(H,12,13)
• InChIKey: DUJCEJZUATXZLC-UHFFFAOYSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 667.998°C at 760 mmHg (Cal.)
• Flash point: 357.792°C (Cal.)