1-Cyclopropyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-87-8]

Identification

• Name: 1-Cyclopropyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: cyclopropyl 2-(4-thiomethylphenyl)ethyl ketone
• Molecular Formula: C₁₃H₁₆OS
• Molecular Weight: 220.33
• CAS Registry Number: 898781-87-8
• SMILES: O=C(CCc1ccc(SC)cc1)C2CC2
• InChI: 1S/C13H16OS/c1-15-12-7-2-10(3-8-12)4-9-13(14)11-5-6-11/h2-3,7-8,11H,4-6,9H2,1H3
• InChIKey: NPAGKFMGVLGJQC-UHFFFAOYSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 345.275°C at 760 mmHg (Cal.)
• Flash point: 177.272°C (Cal.)
• Refractive index: 1.574 (Cal.)