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97963-62-7 | 5-(Difluoromethoxy)-1H-benzo[d]imidazole-2-thiol
CAS No: 97963-62-7 Catalog No: AG003M7A MDL No:MFCD00467504
Product Description
Catalog Number:
AG003M7A
Chemical Name:
5-(Difluoromethoxy)-1H-benzo[d]imidazole-2-thiol
CAS Number:
97963-62-7
Molecular Formula:
C8H6F2N2OS
Molecular Weight:
216.2078
MDL Number:
MFCD00467504
IUPAC Name:
5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)
InChI Key:
HJMVPNAZPFZXCP-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc2c(c1)nc([nH]2)S)F
UNII:
39P59C89NV
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.206g/mol
Monoisotopic Mass:
216.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Metabolism of pantoprazole involving conjugation with glutathione in rats. | The Journal of pharmacy and pharmacology 20050301 |
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