4-[4-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
[CAS# 898782-46-2]

Identification

• Name: 4-[4-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
• Synonyms: 4-cyano-4'-thiomorpholinomethyl benzophenone
• Molecular Formula: C₁₉H₁₈N₂OS
• Molecular Weight: 322.42
• CAS Registry Number: 898782-46-2
• SMILES: N#Cc1ccc(cc1)C(=O)c2ccc(cc2)CN3CCSCC3
• InChI: 1S/C19H18N2OS/c20-13-15-1-5-17(6-2-15)19(22)18-7-3-16(4-8-18)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2
• InChIKey: BZCYKQOMURKCTD-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 514.288°C at 760 mmHg (Cal.)
• Flash point: 264.832°C (Cal.)
• Refractive index: 1.653 (Cal.)