1,3-Dihydro-4-(4-(Phenylthio)Phenyl)-2H-1,5-Benzodiazepin-2-One
[CAS# 66752-99-6]

Identification

• Name: 1,3-Dihydro-4-(4-(Phenylthio)Phenyl)-2H-1,5-Benzodiazepin-2-One
• Synonyms: 4-[4-(Phenylthio)Phenyl]-1,3-Dihydro-1,5-Benzodiazepin-2-One; Brn 0693023; 2H-1,5-Benzodiazepin-2-One, 1,3-Dihydro-4-(4-(Phenylthio)Phenyl)-
• Molecular Formula: C₂₁H₁₆N₂OS
• Molecular Weight: 344.43
• CAS Registry Number: 66752-99-6
• SMILES: C3=C(C2=NC1=CC=CC=C1NC(=O)C2)C=CC(=C3)SC4=CC=CC=C4
• InChI: 1S/C21H16N2OS/c24-21-14-20(22-18-8-4-5-9-19(18)23-21)15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24)
• InChIKey: ILVFCQWJKBGQBJ-UHFFFAOYSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 565.931°C at 760 mmHg (Cal.)
• Flash point: 296.065°C (Cal.)