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Home > Imidazoles > 4344-61-0
4344-61-0 | 1H-Benzimidazole,1-methyl-2-(methylthio)-(8CI,9CI)
CAS No: 4344-61-0 Catalog No: AG00DWKK MDL No:MFCD00507035
Product Description
Catalog Number:
AG00DWKK
Chemical Name:
1H-Benzimidazole,1-methyl-2-(methylthio)-(8CI,9CI)
CAS Number:
4344-61-0
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD00507035
IUPAC Name:
1-methyl-2-methylsulfanylbenzimidazole
InChI:
InChI=1S/C9H10N2S/c1-11-8-6-4-3-5-7(8)10-9(11)12-2/h3-6H,1-2H3
InChI Key:
WXOHRQAMBKXWME-UHFFFAOYSA-N
SMILES:
CSc1nc2c(n1C)cccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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