chempirical

Zinc phenolsulfonate

C6H4O4SZnCAS 127-82-2237.53 g/mol

Open in Covalent MOL file
O−SO−OOZn2+
PhenolSulfonic acid

Properties

Molecular formula
C6H4O4SZn
Molar mass
237.53 g/mol
Exact mass
235.9122 Da
logP
0.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
127-82-2
SMILES
[O-]c1ccc(S([O-])(=O)=O)cc1.[Zn+2]
InChIKey
OVKSISLQQUYEAI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O4S.Zn/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);

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Names and synonyms

5 names
  • Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1)
  • Benzenesulfonic acid, p-hydroxy-, zinc salt (2:1)
  • p-Hydroxybenzenesulfonic acid zinc salt
  • Zinc p-phenolsulfonate
  • Phenozin

Work with Zinc phenolsulfonate

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

Zinc P-toluenesulfonate hydrate123334-05-456 % similar Potassium p-hydroxybenzenesulfonate30145-40-552 % similar Potassium p-chlorobenzenesulfonate78135-07-652 % similar Sodium 4-methylbenzenesulfonate12068-03-048 % similar Sodium P-aminobenzenesulfonate515-74-248 % similar Sodium P-toluenesulfonate657-84-148 % similar Sodium 4-hydroxybenzenesulfonate825-90-148 % similar Sodium benzenesulfonate515-42-448 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook