1-[2-(Methylsulfanyl)phenyl]-3-(3,4,5-trifluorophenyl)-1-propanone
[CAS# 898777-82-7]

Identification

• Name: 1-[2-(Methylsulfanyl)phenyl]-3-(3,4,5-trifluorophenyl)-1-propanone
• Synonyms: 2'-thiomethyl-3-(3,4,5-trifluorophenyl)propiophenone
• Molecular Formula: C₁₆H₁₃F₃OS
• Molecular Weight: 310.33
• CAS Registry Number: 898777-82-7
• SMILES: CSc2ccccc2C(=O)CCc1cc(F)c(F)c(F)c1
• InChI: 1S/C16H13F3OS/c1-21-15-5-3-2-4-11(15)14(20)7-6-10-8-12(17)16(19)13(18)9-10/h2-5,8-9H,6-7H2,1H3
• InChIKey: SCSNSSJNGMXIHG-UHFFFAOYSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 406.469°C at 760 mmHg (Cal.)
• Flash point: 199.626°C (Cal.)
• Refractive index: 1.566 (Cal.)