[(2,5-Dioxo-3-Cyclohexenyl)Thio]Acetic Acid
[CAS# 63905-80-6]

Identification

• Name: [(2,5-Dioxo-3-Cyclohexenyl)Thio]Acetic Acid
• Synonyms: 2-[(2,5-Dioxo-1-Cyclohex-3-Enyl)Thio]Acetic Acid; 2-[(2,5-Diketo-1-Cyclohex-3-Enyl)Thio]Acetic Acid; 2-[(2,5-Dioxo-1-Cyclohex-3-Enyl)Sulfanyl]Ethanoic Acid
• Molecular Formula: C₈H₈O₄S
• Molecular Weight: 200.21
• CAS Registry Number: 63905-80-6
• SMILES: C(SC1C(C=CC(C1)=O)=O)C(O)=O
• InChI: 1S/C8H8O4S/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-2,7H,3-4H2,(H,11,12)
• InChIKey: XLWKTDSFCJIEQG-UHFFFAOYSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 438.962°C at 760 mmHg (Cal.)
• Flash point: 219.277°C (Cal.)