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145543-38-0 | 1H-Benzimidazole, 5-chloro-1-methyl-2-(methylthio)-
CAS No: 145543-38-0 Catalog No: AG001D6I MDL No:
Product Description
Catalog Number:
AG001D6I
Chemical Name:
1H-Benzimidazole, 5-chloro-1-methyl-2-(methylthio)-
CAS Number:
145543-38-0
Molecular Formula:
C9H9ClN2S
Molecular Weight:
212.6992
IUPAC Name:
5-chloro-1-methyl-2-methylsulfanylbenzimidazole
InChI:
InChI=1S/C9H9ClN2S/c1-12-8-4-3-6(10)5-7(8)11-9(12)13-2/h3-5H,1-2H3
InChI Key:
AGJUGSILXZJETL-UHFFFAOYSA-N
SMILES:
CSc1nc2c(n1C)ccc(c2)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.695g/mol
Monoisotopic Mass:
212.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Exploring the interplay of physicochemical properties, membrane permeability and giardicidal activity of some benzimidazole derivatives. | European journal of medicinal chemistry 20120601 |
| Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study. | Bioorganic & medicinal chemistry 20070115 |
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