1,4-Anhydro-2-carboxy-2,5-dideoxy-1-thiopent-3-ulose
[CAS# 80880-77-9]

Identification

• Name: 1,4-Anhydro-2-carboxy-2,5-dideoxy-1-thiopent-3-ulose
• Synonyms: 2-methyl-3-oxo-tetrahydrothiophene-4-carboxylic acid; 5-methyl-4-oxotetrahydrothiophene-3-carboxylic acid
• Molecular Formula: C₆H₈O₃S
• Molecular Weight: 160.19
• CAS Registry Number: 80880-77-9
• SMILES: CC1SCC(C(=O)O)C1=O
• InChI: 1S/C6H8O3S/c1-3-5(7)4(2-10-3)6(8)9/h3-4H,2H2,1H3,(H,8,9)
• InChIKey: OBONHXMGQCRBEB-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 338.564°C at 760 mmHg (Cal.)
• Flash point: 158.558°C (Cal.)