Record Information
Version1.0
Creation Date2016-05-19 02:57:24 UTC
Update Date2016-11-09 01:13:55 UTC
Accession NumberCHEM009058
Identification
Common NamePotassium thiosulfate
ClassSmall Molecule
Description
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Potassium thiosulfuric acidGenerator
Potassium thiosulphateGenerator
Potassium thiosulphuric acidGenerator
Potassium thiosulfateMeSH
Dipotassium 1-oxo-1λ⁶-disulfene-1,1-bis(olic acid)Generator
Dipotassium 1-oxo-1λ⁶-disulphene-1,1-bis(olate)Generator
Dipotassium 1-oxo-1λ⁶-disulphene-1,1-bis(olic acid)Generator
Chemical FormulaK2O3S2
Average Molecular Mass190.310 g/mol
Monoisotopic Mass189.856 g/mol
CAS Registry Number10294-66-3
IUPAC Namedipotassium 1-oxo-1λ⁶-disulfene-1,1-bis(olate)
Traditional Namedipotassium Hypo
SMILES[K+].[K+].[O-]S([O-])(=O)=S
InChI IdentifierInChI=1S/2K.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
InChI KeyFGRVOLIFQGXPCT-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal thiosulfates. These are inorganic compounds in which the largest oxoanion is thiosulfate, 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 thiosulfates
Direct ParentAlkali metal thiosulfates
Alternative Parents
Substituents
  • Alkali metal thiosulfate
  • Inorganic oxide
  • Inorganic sulfide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
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
logP0.048ChemAxon
pKa (Strongest Acidic)2.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.52 m³·mol⁻¹ChemAxon
Polarizability7.76 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, Positivesplash10-0006-0900000000-5f14d03a57c54a334218Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-76826f19ba170f55bd86Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00m3-3900000000-f384613cc1d31e242633Spectrum
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 IDNot Available
PubChem Compound ID61501
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available