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Home > Nitro Compounds > 733031-20-4
733031-20-4 | 5-nitro-1-phenyl-1H-1,3-benzodiazole-2-thiol
CAS No: 733031-20-4 Catalog No: AG019IW8 MDL No:MFCD04635930
Product Description
Catalog Number:
AG019IW8
Chemical Name:
5-nitro-1-phenyl-1H-1,3-benzodiazole-2-thiol
CAS Number:
733031-20-4
Molecular Formula:
C13H9N3O2S
Molecular Weight:
271.2945
MDL Number:
MFCD04635930
IUPAC Name:
6-nitro-3-phenyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H9N3O2S/c17-16(18)10-6-7-12-11(8-10)14-13(19)15(12)9-4-2-1-3-5-9/h1-8H,(H,14,19)
InChI Key:
AIHFDVZZSAZCQP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(n2c1ccccc1)S
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.294g/mol
Monoisotopic Mass:
271.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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