2-{3-[4-(Methylsulfanyl)phenyl]propanoyl}benzonitrile
[CAS# 898780-87-5]

Identification

• Name: 2-{3-[4-(Methylsulfanyl)phenyl]propanoyl}benzonitrile
• Synonyms: 2'-cyano-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NOS
• Molecular Weight: 281.37
• CAS Registry Number: 898780-87-5
• SMILES: CSc2ccc(CCC(=O)c1ccccc1C#N)cc2
• InChI: 1S/C17H15NOS/c1-20-15-9-6-13(7-10-15)8-11-17(19)16-5-3-2-4-14(16)12-18/h2-7,9-10H,8,11H2,1H3
• InChIKey: MXIOAZGZJQHGIC-UHFFFAOYSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 484.203°C at 760 mmHg (Cal.)
• Flash point: 246.637°C (Cal.)
• Refractive index: 1.617 (Cal.)