3-[3,3-Bis(methylsulfanyl)acryloyl]benzonitrile
[CAS# 838871-76-4]

Identification

• Name: 3-[3,3-Bis(methylsulfanyl)acryloyl]benzonitrile
• Synonyms: 3-[3,3-bis(methylsulfanyl)prop-2-enoyl]benzonitrile; BENZONITRILE,3-[3,3-BIS(METHYLTHIO)-1-OXO-2-PROPEN-1-YL]-
• Molecular Formula: C₁₂H₁₁NOS₂
• Molecular Weight: 249.35
• CAS Registry Number: 838871-76-4
• SMILES: CSC(=CC(=O)c1cccc(c1)C#N)SC
• InChI: 1S/C12H11NOS2/c1-15-12(16-2)7-11(14)10-5-3-4-9(6-10)8-13/h3-7H,1-2H3
• InChIKey: YMMDMBWZQLOAOF-UHFFFAOYSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 402.515°C at 760 mmHg (Cal.)
• Flash point: 197.234°C (Cal.)
• Refractive index: 1.619 (Cal.)