chempirical

Potassium diphenyl sulfone-3-sulfonate

C12H9KO5S2CAS 63316-43-8336.42 g/mol

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SulfoneSulfonic acid

Properties

Molecular formula
C12H9KO5S2
Molar mass
336.42 g/mol
Exact mass
335.9528 Da
logP
1.39Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
63316-43-8
SMILES
[O-]S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1.[K+]
InChIKey
AZAXDEGLWYZTDO-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O5S2.K/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17;/h1-9H,(H,15,16,17);

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

Names and synonyms

13 names · show all
  • Benzenesulfonic acid, 3-(phenylsulfonyl)-, potassium salt (1:1)
  • Benzenesulfonic acid, 3-(phenylsulfonyl)-, potassium salt
  • Diphenylsulfone-3-sulfonic acid potassium salt
  • Potassium 3-(phenylsulfonyl)benzenesulfonate
  • KSS
  • KSS (sulfonic acid)
  • Chemguard KSS
  • F 507
  • Potassium 3-benzenesulfonylbenzenesulfonate
  • KSS-FR
  • FR-KSS
  • FR 308
  • KSS-KF

Work with Potassium diphenyl sulfone-3-sulfonate

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

Disodium m-benzenedisulfonate831-59-461 % similar Sodium benzenesulfonate515-42-453 % similar Diphenyl sulfone127-63-952 % similar Sodium m-aminobenzenesulfonate1126-34-747 % similar Tppts63995-70-047 % similar Potassium p-chlorobenzenesulfonate78135-07-647 % similar 4-Chlorophenyl phenyl sulfone80-00-246 % similar Sodium 2-naphthalenesulfonate532-02-545 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook