Record Information
Version1.0
Creation Date2016-05-22 06:04:10 UTC
Update Date2016-11-09 01:15:59 UTC
Accession NumberCHEM019387
Identification
Common NamePotassium tetrathionate
ClassSmall Molecule
DescriptionA potassium salt composed of potassium and tetrathionate ions in a 2:1 ratio.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Dipotassium tetrathionateChEBI
Tetrathionic acid, dipotassium saltChEBI
Dipotassium tetrathionic acidGenerator
Tetrathionate, dipotassium saltGenerator
Potassium tetrathionic acidGenerator
Potassium tetrathionateMeSH
Sodium tetrathionateMeSH
Tetrathionate, potassiumMeSH
Tetrathionate, sodiumMeSH
Tetrathionic acidMeSH
Tetrathionic acid, calcium salt (1:1)MeSH
Tetrathionic acid, disodium saltMeSH
Tetrathionic acid, disodium salt, dihydrateMeSH
Chemical FormulaK2O6S4
Average Molecular Mass302.430 g/mol
Monoisotopic Mass301.785 g/mol
CAS Registry Number13932-13-3
IUPAC Namedipotassium (sulfonatodisulfanyl)sulfonate
Traditional Namedipotassium tetrathionate
SMILES[K+].[K+].[O-]S(=O)(=O)SSS([O-])(=O)=O
InChI IdentifierInChI=1S/2K.H2O6S4/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChI KeyUVTKHPSJNFFIDG-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal tetrathionates. These are inorganic compounds in which the largest oxoanion is tetrathionate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal tetrathionates
Direct ParentAlkali metal tetrathionates
Alternative Parents
Substituents
  • Alkali metal tetrathionate
  • Inorganic oxide
  • Inorganic sulfide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.047ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area114.4 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity31.68 m³·mol⁻¹ChemAxon
Polarizability15.06 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0009000000-1f348ca376a05681ac07Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0109000000-199bfc72443c89f87513Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-3903000000-60ffa6af20f13b180d51Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID86466
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available