2-{3-[2-(Methylsulfanyl)phenyl]propanoyl}benzonitrile
[CAS# 898754-31-9]

Identification

• Name: 2-{3-[2-(Methylsulfanyl)phenyl]propanoyl}benzonitrile
• Synonyms: 2'-cyano-3-(2-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NOS
• Molecular Weight: 281.37
• CAS Registry Number: 898754-31-9
• SMILES: CSc2ccccc2CCC(=O)c1ccccc1C#N
• InChI: 1S/C17H15NOS/c1-20-17-9-5-3-6-13(17)10-11-16(19)15-8-4-2-7-14(15)12-18/h2-9H,10-11H2,1H3
• InChIKey: KPBYWJPJPDWYDV-UHFFFAOYSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 483.214°C at 760 mmHg (Cal.)
• Flash point: 246.039°C (Cal.)
• Refractive index: 1.617 (Cal.)