2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)acrylonitrile
[CAS# 98606-85-0]

Identification

• Name: 2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)acrylonitrile
• Synonyms: 3,3-BIS(METHYLTHIO)-2-(4-METHYLBENZOYL)ACRYLONITRILE
• Molecular Formula: C₁₃H₁₃NOS₂
• Molecular Weight: 263.38
• CAS Registry Number: 98606-85-0
• SMILES: O=C(c1ccc(C)cc1)C(\C#N)=C(/SC)SC
• InChI: 1S/C13H13NOS2/c1-9-4-6-10(7-5-9)12(15)11(8-14)13(16-2)17-3/h4-7H,1-3H3
• InChIKey: UCALIKCVCDMOJV-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 382.05°C at 760 mmHg (Cal.)
• Flash point: 184.857°C (Cal.)