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Home > Nitro Compounds > 2217-55-2
2217-55-2 | BIS(2,4-DINITROPHENYL) DISULFIDE
CAS No: 2217-55-2 Catalog No: AG003O83 MDL No:MFCD00059178
Product Description
Catalog Number:
AG003O83
Chemical Name:
BIS(2,4-DINITROPHENYL) DISULFIDE
CAS Number:
2217-55-2
Molecular Formula:
C12H6N4O8S2
Molecular Weight:
398.3280
MDL Number:
MFCD00059178
IUPAC Name:
1-[(2,4-dinitrophenyl)disulfanyl]-2,4-dinitrobenzene
InChI:
InChI=1S/C12H6N4O8S2/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-26-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H
InChI Key:
FZSBDDXXXSWEEW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1SSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
192
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.963g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.32g/mol
Monoisotopic Mass:
397.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Sulfur-substituted tetrahedranes. | Journal of the American Chemical Society 20110803 |
| 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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