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Home > Nitro Compounds > 35350-31-3
35350-31-3 | 2-Nitro-p-tolyl disulfide
CAS No: 35350-31-3 Catalog No: AG003HT6 MDL No:MFCD00087053
Product Description
Catalog Number:
AG003HT6
Chemical Name:
2-Nitro-p-tolyl disulfide
CAS Number:
35350-31-3
Molecular Formula:
C14H12N2O4S2
Molecular Weight:
336.3861
MDL Number:
MFCD00087053
IUPAC Name:
4-methyl-1-[(4-methyl-2-nitrophenyl)disulfanyl]-2-nitrobenzene
InChI:
InChI=1S/C14H12N2O4S2/c1-9-3-5-13(11(7-9)15(17)18)21-22-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3
InChI Key:
MBTLEECRJWKPIP-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])SSc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.024g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.38g/mol
Monoisotopic Mass:
336.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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