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Home > Nitro Compounds > 4875-10-9
4875-10-9 | 2-Nitrobenzenethiol
CAS No: 4875-10-9 Catalog No: AG0039RV MDL No:
Product Description
Catalog Number:
AG0039RV
Chemical Name:
2-Nitrobenzenethiol
CAS Number:
4875-10-9
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
IUPAC Name:
2-nitrobenzenethiol
InChI:
InChI=1S/C6H5NO2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H
InChI Key:
JKIFPWHZEZQCQA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S
EC Number:
225-483-7
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Surface-enhanced Raman scattering (SERS) of nitrothiophenol isomers chemisorbed on TiO2. | Chemistry, an Asian journal 20120501 |
| The electrochemical detection of tagged nanoparticles via particle-electrode collisions: nanoelectroanalysis beyond immobilisation. | Chemical communications (Cambridge, England) 20120304 |
| Rapid and simple kinetics screening assay for electrophilic dermal sensitizers using nitrobenzenethiol. | Chemical research in toxicology 20100517 |
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