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Home > Nitro Compounds > 70574-29-7
70574-29-7 | Disulfide, methyl 2-nitrophenyl
CAS No: 70574-29-7 Catalog No: AG005HRD MDL No:
Product Description
Catalog Number:
AG005HRD
Chemical Name:
Disulfide, methyl 2-nitrophenyl
CAS Number:
70574-29-7
Molecular Formula:
C7H7NO2S2
Molecular Weight:
201.2660
IUPAC Name:
1-(methyldisulfanyl)-2-nitrobenzene
InChI:
InChI=1S/C7H7NO2S2/c1-11-12-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChI Key:
HHAASJBQVUGCCN-UHFFFAOYSA-N
SMILES:
CSSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.258g/mol
Monoisotopic Mass:
200.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Unsymmetric aryl-alkyl disulfide growth inhibitors of methicillin-resistant Staphylococcus aureus and Bacillus anthracis. | Bioorganic & medicinal chemistry 20080701 |
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