3-[4-(Methylsulfanyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1-propanone
[CAS# 898781-55-0]

Identification

• Name: 3-[4-(Methylsulfanyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1-propanone
• Synonyms: 3-(4-thiomethylphenyl)-3'-trifluoromethylpropiophenone
• Molecular Formula: C₁₇H₁₅F₃OS
• Molecular Weight: 324.36
• CAS Registry Number: 898781-55-0
• SMILES: CSc2ccc(CCC(=O)c1cccc(c1)C(F)(F)F)cc2
• InChI: 1S/C17H15F3OS/c1-22-15-8-5-12(6-9-15)7-10-16(21)13-3-2-4-14(11-13)17(18,19)20/h2-6,8-9,11H,7,10H2,1H3
• InChIKey: ZZMTWMHZTOGMHL-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 409.714°C at 760 mmHg (Cal.)
• Flash point: 201.588°C (Cal.)
• Refractive index: 1.557 (Cal.)