Cyclopentyl[2-(methylsulfanyl)phenyl]methanone
[CAS# 898791-42-9]

Identification

• Name: Cyclopentyl[2-(methylsulfanyl)phenyl]methanone
• Synonyms: cyclopentyl 2-thiomethylphenyl ketone
• Molecular Formula: C₁₃H₁₆OS
• Molecular Weight: 220.33
• CAS Registry Number: 898791-42-9
• SMILES: O=C(c1ccccc1SC)C2CCCC2
• InChI: 1S/C13H16OS/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3
• InChIKey: DRUWRPTVXGETEY-UHFFFAOYSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 337.11°C at 760 mmHg (Cal.)
• Flash point: 170.237°C (Cal.)
• Refractive index: 1.574 (Cal.)