(4-Nitrobenzyl)mercaptan - CAS 26798-33-4
Catalog: |
BB019365 |
Product Name: |
(4-Nitrobenzyl)mercaptan |
CAS: |
26798-33-4 |
Synonyms: |
(4-nitrophenyl)methanethiol |
IUPAC Name: | (4-nitrophenyl)methanethiol |
Description: | (4-Nitrobenzyl)mercaptan (CAS# 26798-33-4 ) is a useful research chemical. |
Molecular Weight: | 169.20 |
Molecular Formula: | C7H7NO2S |
Canonical SMILES: | C1=CC(=CC=C1CS)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2 |
InChI Key: | ACFHLWCEZHYYKX-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.285 g/cm3 |
LogP: | 2.54780 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108586310-A | The catalysis oxidation synthetic method of 3- sulfydryl indole class compounds | 20180417 |
EP-3480198-A1 | Novel compound or pharmaceutically acceptable salt thereof | 20160630 |
US-2020172554-A1 | Novel compound or pharmaceutically acceptable salt thereof | 20160630 |
EP-3480198-B1 | Novel compound or pharmaceutically acceptable salt thereof | 20160630 |
CN-104804000-B | A kind of matrine compound and preparation method and application | 20150427 |
PMID | Publication Date | Title | Journal |
19014949 | 20090123 | Crystallographic and functional characterization of the fluorodifen-inducible glutathione transferase from Glycine max reveals an active site topography suited for diphenylether herbicides and a novel L-site | Journal of molecular biology |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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