Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-thioxo-

Base Information

• Chemical Name: Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-thioxo-
• CAS No.: 257891-67-1
• Molecular Formula: C17H20 N4 S
• Molecular Weight: 312.4325
• DSSTox Substance ID: DTXSID50948680
• Nikkaji Number: J2.190.934C
• Mol file: 257891-67-1.mol

Synonyms:257891-67-1;Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-thioxo-;Imidazo[4,5,1-jk][1,4]benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-thioxo-;methyl-(3-methylbut-2-enyl)-thioxo-[?]carbonitrile;DTXSID50948680;3-Methyl-4-(3-methyl-2-butenyl)-6-cyano-9,1-[imino(thiocarbonyl)]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;5-Methyl-6-(3-methylbut-2-en-1-yl)-2-sulfanylidene-1,2,4,5,6,7-hexahydroimidazo[4,5,1-jk][1,4]benzodiazepine-8-carbonitrile

Chemical Property of Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-thioxo-

Chemical Property:

• Vapor Pressure: 5.5E-09mmHg at 25°C
• Boiling Point: 469.5°Cat760mmHg
• Flash Point: 237.7°C
• Density: 1.27g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 312.14086783
• Heavy Atom Count: 22
• Complexity: 530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)C#N)NC2=S