2-Methyl-1,4-Oxathiine-3-Carboxylic Acid
[CAS# 167872-42-6]

Identification

• Name: 2-Methyl-1,4-Oxathiine-3-Carboxylic Acid
• Synonyms: 1,4-OXATHIIN-3-CARBOXYLICACID, 2-METHYL-; 2-methyl-1,4-oxathiine-3-carboxylic acid
• Molecular Formula: C₆H₆O₃S
• Molecular Weight: 158.18
• CAS Registry Number: 167872-42-6
• SMILES: CC1=C(SC=CO1)C(=O)O
• InChI: 1S/C6H6O3S/c1-4-5(6(7)8)10-3-2-9-4/h2-3H,1H3,(H,7,8)
• InChIKey: DYMTWZUPMQCWAS-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 249.667°C at 760 mmHg (Cal.)
• Flash point: 104.795°C (Cal.)
• Refractive index: 1.6 (Cal.)