3-[2-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
[CAS# 898781-56-1]

Identification

• Name: 3-[2-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
• Synonyms: 3'-cyano-2-thiomorpholinomethyl benzophenone
• Molecular Formula: C₁₉H₁₈N₂OS
• Molecular Weight: 322.42
• CAS Registry Number: 898781-56-1
• SMILES: N#Cc1cccc(c1)C(=O)c3ccccc3CN2CCSCC2
• InChI: 1S/C19H18N2OS/c20-13-15-4-3-6-16(12-15)19(22)18-7-2-1-5-17(18)14-21-8-10-23-11-9-21/h1-7,12H,8-11,14H2
• InChIKey: FZZKVFZATKWJRR-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 527.753°C at 760 mmHg (Cal.)
• Flash point: 272.975°C (Cal.)
• Refractive index: 1.653 (Cal.)