7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione

Base Information

• Chemical Name: 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione
• CAS No.: 258850-02-1
• Molecular Formula: C17H23 Cl N2 S
• Molecular Weight: 322.8959
• DSSTox Substance ID: DTXSID10948782
• Mol file: 258850-02-1.mol

Synonyms:258850-02-1;7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione;2H-1,4-Benzodiazepine-2-thione, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-(1-methylethyl)-;DTXSID10948782;7-chloro-3-isopropyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepine-2-thione;7-Chloro-4-(3-methylbut-2-en-1-yl)-3-(propan-2-yl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepine-2-thione

Chemical Property of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione

Chemical Property:

• Vapor Pressure: 7.79E-07mmHg at 25°C
• Boiling Point: 407°Cat760mmHg
• Flash Point: 200°C
• Density: 1.17g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 322.1270476
• Heavy Atom Count: 21
• Complexity: 404

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=S)NC2=C(CN1CC=C(C)C)C=C(C=C2)Cl