3-[4-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
[CAS# 898782-43-9]

Identification

• Name: 3-[4-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
• Synonyms: 3-cyano-4'-thiomorpholinomethyl benzophenone
• Molecular Formula: C₁₉H₁₈N₂OS
• Molecular Weight: 322.42
• CAS Registry Number: 898782-43-9
• SMILES: N#Cc1cccc(c1)C(=O)c2ccc(cc2)CN3CCSCC3
• InChI: 1S/C19H18N2OS/c20-13-16-2-1-3-18(12-16)19(22)17-6-4-15(5-7-17)14-21-8-10-23-11-9-21/h1-7,12H,8-11,14H2
• InChIKey: GTQDDVCJYXWRLY-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 505.351°C at 760 mmHg (Cal.)
• Flash point: 259.427°C (Cal.)
• Refractive index: 1.653 (Cal.)