4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(3-chlorophenyl)-

Base Information

• Chemical Name: 4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(3-chlorophenyl)-
• CAS No.: 126684-59-1
• Molecular Formula: C20H19 Cl N2 S
• Molecular Weight: 354.9
• DSSTox Substance ID: DTXSID70925675
• Nikkaji Number: J629.269K
• Mol file: 126684-59-1.mol

Synonyms:126684-59-1;4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(3-chlorophenyl)-;4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hex ahydro-4-(3-chlorophenyl)-;4-(3-chlorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine;7-(3-chlorophenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene;DTXSID70925675;ACMUPPDDQFBFEE-UHFFFAOYSA-N;AKOS001855372;LS-41057;5,6-Dihydro-6-(3-chlorophenyl)-2,3-butano-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine

Chemical Property of 4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(3-chlorophenyl)-

Chemical Property:

• Vapor Pressure: 1.33E-11mmHg at 25°C
• Boiling Point: 536.9°Cat760mmHg
• Flash Point: 278.5°C
• PSA: 45.20000
• Density: 1.41g/cm³
• LogP: 5.59240
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 354.0957475
• Heavy Atom Count: 24
• Complexity: 461

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C3=C(S2)N4C=CC=C4C(NC3)C5=CC(=CC=C5)Cl