6,6-Dimethyl-3-(Methylsulfanyl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One
[CAS# 172516-40-4]

Identification

• Name: 6,6-Dimethyl-3-(Methylsulfanyl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One
• Synonyms: Maybridge4_002401; ZINC04350035
• Molecular Formula: C₁₁H₁₄OS₂
• Molecular Weight: 226.36
• CAS Registry Number: 172516-40-4
• SMILES: O=C2c1c(csc1SC)CC(C2)(C)C
• InChI: 1S/C11H14OS2/c1-11(2)4-7-6-14-10(13-3)9(7)8(12)5-11/h6H,4-5H2,1-3H3
• InChIKey: YPIRDYZTVBKCEL-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 337.212°C at 760 mmHg (Cal.)
• Flash point: 157.741°C (Cal.)
• Refractive index: 1.593 (Cal.)