Thiocol

C7H9KO6SCAS 1321-14-8260.30 g/mol

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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

Hazards

Warning
Irritant (GHS07)

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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

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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 4-Bromo-2-methoxyphenol7368-78-744 % 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-Methoxybenzene-1,4-diol824-46-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook