1-Cyclopentyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-91-4]

Identification

• Name: 1-Cyclopentyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: cyclopentyl 2-(4-thiomethylphenyl)ethyl ketone
• Molecular Formula: C₁₅H₂₀OS
• Molecular Weight: 248.38
• CAS Registry Number: 898781-91-4
• SMILES: O=C(CCc1ccc(SC)cc1)C2CCCC2
• InChI: 1S/C15H20OS/c1-17-14-9-6-12(7-10-14)8-11-15(16)13-4-2-3-5-13/h6-7,9-10,13H,2-5,8,11H2,1H3
• InChIKey: NLTXNOMHAOYRFO-UHFFFAOYSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 377.211°C at 760 mmHg (Cal.)
• Flash point: 195.09°C (Cal.)
• Refractive index: 1.56 (Cal.)