1-Cyclopentyl-3-[2-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898780-71-7]

Identification

• Name: 1-Cyclopentyl-3-[2-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: cyclopentyl 2-(2-thiomethylphenyl)ethyl ketone
• Molecular Formula: C₁₅H₂₀OS
• Molecular Weight: 248.38
• CAS Registry Number: 898780-71-7
• SMILES: O=C(CCc1ccccc1SC)C2CCCC2
• InChI: 1S/C15H20OS/c1-17-15-9-5-4-8-13(15)10-11-14(16)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
• InChIKey: FCCJHIMOZQSWLD-UHFFFAOYSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 369.724°C at 760 mmHg (Cal.)
• Flash point: 188.639°C (Cal.)
• Refractive index: 1.56 (Cal.)