6,6-Dimethyl-3-(Methylsulfanyl)-4-Oxo-4,5,6,7-Tetrahydro-2-Benzothiophene-1-Carboxylic Acid
[CAS# 172516-41-5]

Identification

• Name: 6,6-Dimethyl-3-(Methylsulfanyl)-4-Oxo-4,5,6,7-Tetrahydro-2-Benzothiophene-1-Carboxylic Acid
• Synonyms: 6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-; 6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetra-hydrobenzo[c]thiophene-1-carboxylic acid; 6,6-dimethyl-3-methylthio-4-oxo-5,6,7-trihydrobenzo[1,2-c]thiophenecarboxylic acid
• Molecular Formula: C₁₂H₁₄O₃S₂
• Molecular Weight: 270.37
• CAS Registry Number: 172516-41-5
• SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)O)C
• InChI: 1S/C12H14O3S2/c1-12(2)4-6-8(7(13)5-12)11(16-3)17-9(6)10(14)15/h4-5H2,1-3H3,(H,14,15)
• InChIKey: XOXHNCQEJNHCDW-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 443.3±45.0°C at 760 mmHg (Cal.)
• Flash point: 221.9±28.7°C (Cal.)
• Refractive index: 1.623 (Cal.)

Safety Data

• Safety Description: IRRITANT