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Home > Imidazoles > 6325-91-3
6325-91-3 | 5-Nitro-1H-benzo[d]imidazole-2-thiol
CAS No: 6325-91-3 Catalog No: AG003HI4 MDL No:MFCD00804727
Product Description
Catalog Number:
AG003HI4
Chemical Name:
5-Nitro-1H-benzo[d]imidazole-2-thiol
CAS Number:
6325-91-3
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD00804727
IUPAC Name:
5-nitro-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)
InChI Key:
YPXQSGWOGQPLQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]2)S
NSC Number:
31137
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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