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Home > Nitro Compounds > 1223-31-0
1223-31-0 | Benzene, 1,1'-thiobis[4-nitro-
CAS No: 1223-31-0 Catalog No: AG00172R MDL No:MFCD00039745
Product Description
Catalog Number:
AG00172R
Chemical Name:
Benzene, 1,1'-thiobis[4-nitro-
CAS Number:
1223-31-0
Molecular Formula:
C12H8N2O4S
Molecular Weight:
276.2679
MDL Number:
MFCD00039745
IUPAC Name:
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
InChI:
InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key:
ZZTJMQPRKBNGNX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
EC Number:
214-950-0
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.266g/mol
Monoisotopic Mass:
276.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase. | Antimicrobial agents and chemotherapy 19930401 |
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