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Home Halogens 2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-(9CI)

2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-(9CI)

CAS No.:
50771-89-6
Catalog Number:
AG00DWIJ
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
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Product Description
Catalog Number:
AG00DWIJ
Chemical Name:
2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-(9CI)
CAS Number:
50771-89-6
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
MDL Number:
MFCD12110806
IUPAC Name:
6-chloro-3-methyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C8H7ClN2S/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChI Key:
WLOTVFRYXAJOSM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(n2C)S
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.002g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.668g/mol
Monoisotopic Mass:
198.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Exploring the interplay of physicochemical properties, membrane permeability and giardicidal activity of some benzimidazole derivatives. European journal of medicinal chemistry 20120601
In vitro and in vivo trypanocidal activity of some benzimidazole derivatives against two strains of Trypanosoma cruzi. Acta tropica 20120401
Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study. Bioorganic & medicinal chemistry 20070115
Properties