3-[4-(Methylsulfanyl)phenyl]-1-phenyl-1-propanone
[CAS# 96550-90-2]

Identification

• Name: 3-[4-(Methylsulfanyl)phenyl]-1-phenyl-1-propanone
• Synonyms: 3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₆H₁₆OS
• Molecular Weight: 256.36
• CAS Registry Number: 96550-90-2
• SMILES: CSc2ccc(CCC(=O)c1ccccc1)cc2
• InChI: 1S/C16H16OS/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
• InChIKey: HKCJMVGYWDTQHC-UHFFFAOYSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 417.894°C at 760 mmHg (Cal.)
• Flash point: 229.749°C (Cal.)