3-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
[CAS# 898762-86-2]

Identification

• Name: 3-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
• Synonyms: 3-cyano-3'-thiomorpholinomethyl benzophenone
• Molecular Formula: C₁₉H₁₈N₂OS
• Molecular Weight: 322.42
• CAS Registry Number: 898762-86-2
• SMILES: N#Cc1cccc(c1)C(=O)c3cc(CN2CCSCC2)ccc3
• InChI: 1S/C19H18N2OS/c20-13-15-3-1-5-17(11-15)19(22)18-6-2-4-16(12-18)14-21-7-9-23-10-8-21/h1-6,11-12H,7-10,14H2
• InChIKey: VITORILKRNVDLX-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 511.131°C at 760 mmHg (Cal.)
• Flash point: 262.923°C (Cal.)
• Refractive index: 1.653 (Cal.)