3-Oxo-3-{3-[(Phenylsulfanyl)Methyl]Phenyl}Propanenitrile
[CAS# 175203-10-8]

Identification

• Name: 3-Oxo-3-{3-[(Phenylsulfanyl)Methyl]Phenyl}Propanenitrile
• Synonyms: 3-(Phenylthiomethyl)benzoylacetonitrile
• Molecular Formula: C₁₆H₁₃NOS
• Molecular Weight: 267.35
• CAS Registry Number: 175203-10-8
• SMILES: C1=CC=C(C=C1)SCC2=CC(=CC=C2)C(=O)CC#N
• InChI: 1S/C16H13NOS/c17-10-9-16(18)14-6-4-5-13(11-14)12-19-15-7-2-1-3-8-15/h1-8,11H,9,12H2
• InChIKey: ITVPGUQUIZMZBT-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 479.6±40.0°C at 760 mmHg (Cal.)
• Flash point: 243.8±27.3°C (Cal.)
• Refractive index: 1.627 (Cal.)