chempirical

Potassium 2,5-dihydroxybenzenesulfonate

C6H5KO5SCAS 21799-87-1228.26 g/mol

Open in Covalent MOL file
O−SOOOHHOK+
PhenolSulfonic acid

Properties

Molecular formula
C6H5KO5S
Molar mass
228.26 g/mol
Exact mass
227.9495 Da
logP
-0.04Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
21799-87-1
SMILES
[O-]S(=O)(=O)c1cc(O)ccc1O.[K+]
InChIKey
WHUCYROEYGJKNI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O5S.K/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenesulfonic acid, 2,5-dihydroxy-, potassium salt (1:1)
  • Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt
  • Potassium hydroquinonesulfonate
  • Potassium hydroquinone monosulfonate

Work with Potassium 2,5-dihydroxybenzenesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Calcium dobesilate20123-80-259 % similar 2-Naphthol-6,8-disulfonic acid dipotassium salt842-18-256 % similar Potassium p-hydroxybenzenesulfonate30145-40-556 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-955 % similar Sodium O-phenolsulfonate1300-51-250 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-150 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-547 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook