1-(2,5-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-27-6]

Identification

• Name: 1-(2,5-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 2',5'-dimethyl-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₈H₂₀OS
• Molecular Weight: 284.42
• CAS Registry Number: 898781-27-6
• SMILES: CSc2ccc(CCC(=O)c1cc(C)ccc1C)cc2
• InChI: 1S/C18H20OS/c1-13-4-5-14(2)17(12-13)18(19)11-8-15-6-9-16(20-3)10-7-15/h4-7,9-10,12H,8,11H2,1-3H3
• InChIKey: YEXFRPJBOFDIBE-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 448.167°C at 760 mmHg (Cal.)
• Flash point: 246.803°C (Cal.)
• Refractive index: 1.591 (Cal.)