4-Phenyl-1,3,4,5-tetrahydro-2H-pyrido[2,3-b][1,4]diazepine-2-thione
[CAS# 87474-42-8]

Identification

• Name: 4-Phenyl-1,3,4,5-tetrahydro-2H-pyrido[2,3-b][1,4]diazepine-2-thione
• Synonyms: 2H-Pyrido(2,3-b)(1,4)diazepine-2-thione, 1,3,4,5-tetrahydro-4-phenyl-; 4-Phenyl-1,3,4,5-tetrahydro-2H-pyrido(2,3-b)(1,4)diazepine-2-thione; 4-Phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepinothione-2
• Molecular Formula: C₁₄H₁₃N₃S
• Molecular Weight: 255.34
• CAS Registry Number: 87474-42-8
• SMILES: S=C3Nc1c(nccc1)NC(c2ccccc2)C3
• InChI: 1S/C14H13N3S/c18-13-9-12(10-5-2-1-3-6-10)17-14-11(16-13)7-4-8-15-14/h1-8,12H,9H2,(H,15,17)(H,16,18)
• InChIKey: APSLTQQNGXWDEW-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 443.58°C at 760 mmHg (Cal.)
• Flash point: 222.069°C (Cal.)