3-{3-[2-(Methylsulfanyl)phenyl]propanoyl}benzonitrile
[CAS# 898754-33-1]

Identification

• Name: 3-{3-[2-(Methylsulfanyl)phenyl]propanoyl}benzonitrile
• Synonyms: 3'-cyano-3-(2-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NOS
• Molecular Weight: 281.37
• CAS Registry Number: 898754-33-1
• SMILES: CSc2ccccc2CCC(=O)c1cccc(C#N)c1
• InChI: 1S/C17H15NOS/c1-20-17-8-3-2-6-14(17)9-10-16(19)15-7-4-5-13(11-15)12-18/h2-8,11H,9-10H2,1H3
• InChIKey: HBTIPVLKFYJUMC-UHFFFAOYSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 470.443°C at 760 mmHg (Cal.)
• Flash point: 238.315°C (Cal.)
• Refractive index: 1.617 (Cal.)