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Potassium p-Toluenethiosulfonate - >98.0%(HPLC), high purity , CAS No.28519-50-8
Basic Description
Synonyms
4-(4-Bromo-phenoxy)-benzaldehyde | potassium [(4-methylphenyl)oxo-??-disulfanyl]olate | SCHEMBL338458 | potassium;(4-methylphenyl)-oxido-oxo-sulfanylidene-lambda6-sulfane | EINECS 249-065-9 | Potassium p-toluenethiosulfonate | NSC 251032 | potassium 4-met
Specifications & Purity
≥98%(HPLC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds Sulfonyls Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Sulfonyl - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504769459
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769459
IUPAC Name
potassium;(4-methylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane
INCHI
InChI=1S/C7H8O2S2.K/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKey
RUDNWZFWWJFUSF-UHFFFAOYSA-M
Smiles
CC1=CC=C(C=C1)S(=O)(=S)[O-].[K+]
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=S)[O-].[K+]
PubChem CID
23662126
Molecular Weight
226.35
Reaxy-Rn
3747559
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Melt Point(°C)
229°C(lit.)
Molecular Weight
226.400 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
225.952 Da
Monoisotopic Mass
225.952 Da
Topological Polar Surface Area
80.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
228.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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C2514679