1-Cyclopropyl-3-[2-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898780-67-1]

Identification

• Name: 1-Cyclopropyl-3-[2-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: cyclopropyl 2-(2-thiomethylphenyl)ethyl ketone
• Molecular Formula: C₁₃H₁₆OS
• Molecular Weight: 220.33
• CAS Registry Number: 898780-67-1
• SMILES: O=C(CCc1ccccc1SC)C2CC2
• InChI: 1S/C13H16OS/c1-15-13-5-3-2-4-11(13)8-9-12(14)10-6-7-10/h2-5,10H,6-9H2,1H3
• InChIKey: HBPYGMFHWTUKHC-UHFFFAOYSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 336.991°C at 760 mmHg (Cal.)
• Flash point: 170.135°C (Cal.)
• Refractive index: 1.574 (Cal.)