chempirical

Potassium butyl xanthate

C5H9KOS2CAS 871-58-9188.34 g/mol

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OS−SK+
Thiol

Properties

Molecular formula
C5H9KOS2
Molar mass
188.34 g/mol
Exact mass
187.9732 Da
Melting point
70 °C (decomposes)
logP
1.64Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
871-58-9
SMILES
CCCCOC([S-])=S.[K+]
InChIKey
KSVBYVVJHHRFPJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H10OS2.K/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H,7,8);

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Names and synonyms

14 names · show all
  • Carbonodithioic acid, O-butyl ester, potassium salt (1:1)
  • Carbonic acid, dithio-, O-butyl ester, potassium salt
  • Carbonodithioic acid, O-butyl ester, potassium salt
  • Xanthic acid, butyl-, potassium salt
  • Butyl potassium xanthate
  • Potassium butylxanthogenate
  • Potassium O-butyl xanthate
  • Potassium O-butyl dithiocarbonate
  • Potassium n-butylxanthate
  • Butyl potassium xanthogenate
  • O-Butyl potassium dithiocarbonate
  • Potassium butyl dithiocarbonate
  • Potassium O-n-butyl xanthate
  • Potassium O-butyl carbonodithioate

Work with Potassium butyl xanthate

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

Potassium amyl xanthate2720-73-289 % similar Sodium butylxanthate141-33-379 % similar Potassium ethyl xanthate140-89-659 % similar Sodium ethyl xanthate140-90-944 % similar Dibutyl oxalate2050-60-442 % similar Dibutyl carbonate542-52-942 % similar Sodium isobutyl xanthate25306-75-640 % similar Butyl acetate123-86-439 % similar

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

Elsewhere

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