1,3-Bis[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-01-6]

Identification

• Name: 1,3-Bis[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 4'-thiomethyl-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₇H₁₈OS₂
• Molecular Weight: 302.45
• CAS Registry Number: 898781-01-6
• SMILES: CSc2ccc(CCC(=O)c1ccc(SC)cc1)cc2
• InChI: 1S/C17H18OS2/c1-19-15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(20-2)11-7-14/h3-4,6-11H,5,12H2,1-2H3
• InChIKey: NVKJIXLJQWBJTN-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 480.958°C at 760 mmHg (Cal.)
• Flash point: 206.961°C (Cal.)
• Refractive index: 1.626 (Cal.)