chempirical

Thiocol

C7H9KO6SCAS 1321-14-8260.30 g/mol

Open in Covalent MOL file
OSOOO−HOH2OK+
EtherPhenolSulfonic acid

Properties

Molecular formula
C7H9KO6S
Molar mass
260.30 g/mol
Exact mass
259.9757 Da
logP
-3.52Crippen estimate
Polar surface area
118.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
1321-14-8
SMILES
COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.O.[K+]
InChIKey
UZXRQGSKGNYWCP-UHFFFAOYSA-M
InChI
InChI=1S/C7H8O5S.K.H2O/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;;/h2-4,8H,1H3,(H,9,10,11);;1H2/q;+1;/p-1

Weigh it out

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

Names and synonyms

18 names · show all
  • Benzenesulfonic acid, hydroxymethoxy-, potassium salt (1:1)
  • Benzenesulfonic acid, hydroxymethoxy-, monopotassium salt
  • Benzenesulfonic acid, hydroxymethoxy-, potassium salt
  • Potassium guaiacolsulfonate
  • Sulfoguaiacol
  • Guaiacolsulfonate potassium
  • Potassium sulfoguaiacolate
  • Sirolin
  • Gaiatase
  • Gaiathiol
  • Guajantin
  • Kasucol
  • Orthocol
  • Silborina
  • Siracol
  • Sulfogaiacol
  • Orthocoll
  • Tiocol

Work with Thiocol

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

2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-946 % similar Potassium p-hydroxybenzenesulfonate30145-40-545 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-543 % similar Potassium 2,5-dihydroxybenzenesulfonate21799-87-143 % similar Sodium P-phenolsulfonate dihydrate10580-19-543 % similar Allura red ac25956-17-643 % similar 2-Methoxyhydroquinone824-46-443 % similar Chromotropic acid disodium salt dihydrate5808-22-043 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook