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Home > Nitro Compounds > 100137-37-9
100137-37-9 | Benzenesulfonamide, 4,4'-dithiobis[3-nitro-
CAS No: 100137-37-9 Catalog No: AG000125 MDL No:
Product Description
Catalog Number:
AG000125
Chemical Name:
Benzenesulfonamide, 4,4'-dithiobis[3-nitro-
CAS Number:
100137-37-9
Molecular Formula:
C12H10N4O8S4
Molecular Weight:
466.4898
IUPAC Name:
3-nitro-4-[(2-nitro-4-sulfamoylphenyl)disulfanyl]benzenesulfonamide
InChI:
InChI=1S/C12H10N4O8S4/c13-27(21,22)7-1-3-11(9(5-7)15(17)18)25-26-12-4-2-8(28(14,23)24)6-10(12)16(19)20/h1-6H,(H2,13,21,22)(H2,14,23,24)
InChI Key:
BMNWYRSTEGXYJW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1SSc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N)S(=O)(=O)N
NSC Number:
255089
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.938g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
466.472g/mol
Monoisotopic Mass:
465.938g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
279A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Evaluation of selected chemotypes in coupled cellular and molecular target-based screens identifies novel HIV-1 zinc finger inhibitors. | Journal of medicinal chemistry 19960913 |
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