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4344-85-8 | 1H-Benzimidazole-2-methanethiol
CAS No: 4344-85-8 Catalog No: AG0073WV MDL No:MFCD00099036
Product Description
Catalog Number:
AG0073WV
Chemical Name:
1H-Benzimidazole-2-methanethiol
CAS Number:
4344-85-8
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD00099036
IUPAC Name:
1H-benzimidazol-2-ylmethanethiol
InChI:
InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChI Key:
XGIDEUICZZXBFQ-UHFFFAOYSA-N
SMILES:
SCc1nc2c([nH]1)cccc2
NSC Number:
46326
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis, characterization and in vitro cytotoxic, mutagenic and antimicrobial activity of platinum(II) complexes with substituted benzimidazole ligands. | Journal of inorganic biochemistry 20030301 |
| Comparative toxicokinetic/toxicodynamic study of rubber antioxidants, 2-mercaptobenzimidazole and its methyl substituted derivatives, by repeated oral administration in rats. | Archives of toxicology 20021201 |
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