4-Phenyl-1,3,4,5-tetrahydro-2H-pyrido(2,3-b)(1,4)diazepine-2-thione

Base Information

• Chemical Name: 4-Phenyl-1,3,4,5-tetrahydro-2H-pyrido(2,3-b)(1,4)diazepine-2-thione
• CAS No.: 87474-42-8
• Molecular Formula: C14H13 N3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID401007586
• Mol file: 87474-42-8.mol

Synonyms:87474-42-8;4-Phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepinothione-2;4-Phenyl-1,3,4,5-tetrahydro-2H-pyrido(2,3-b)(1,4)diazepine-2-thione;2H-Pyrido(2,3-b)(1,4)diazepine-2-thione, 1,3,4,5-tetrahydro-4-phenyl-;DTXSID401007586;LS-133351;4-Phenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine-2-thiol

Chemical Property of 4-Phenyl-1,3,4,5-tetrahydro-2H-pyrido(2,3-b)(1,4)diazepine-2-thione

Chemical Property:

• Vapor Pressure: 4.58E-08mmHg at 25°C
• Boiling Point: 443.6°C at 760 mmHg
• Flash Point: 222.1°C
• PSA: 76.08000
• Density: 1.31g/cm³
• LogP: 3.17190
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.08301860
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

4-PHENYL-1,3,4,5-TETRAHYDRO-2H-PYRIDO(2,3-B)(1,4)DIAZEPINE-2-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC2=C(C=CC=N2)NC1=S)C3=CC=CC=C3