3-[4-(Methylsulfanyl)phenyl]-1-[2-(trifluoromethyl)phenyl]-1-propanone
[CAS# 898781-53-8]

Identification

• Name: 3-[4-(Methylsulfanyl)phenyl]-1-[2-(trifluoromethyl)phenyl]-1-propanone
• Synonyms: 3-(4-thiomethylphenyl)-2'-trifluoromethylpropiophenone
• Molecular Formula: C₁₇H₁₅F₃OS
• Molecular Weight: 324.36
• CAS Registry Number: 898781-53-8
• SMILES: CSc2ccc(CCC(=O)c1ccccc1C(F)(F)F)cc2
• InChI: 1S/C17H15F3OS/c1-22-13-9-6-12(7-10-13)8-11-16(21)14-4-2-3-5-15(14)17(18,19)20/h2-7,9-10H,8,11H2,1H3
• InChIKey: ODLFTXVOXRLFCM-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 430.762°C at 760 mmHg (Cal.)
• Flash point: 214.318°C (Cal.)
• Refractive index: 1.557 (Cal.)