Record Information
Version1.0
Creation date2010-04-08 22:11:50 UTC
Update date2015-07-20 23:18:14 UTC
Primary IDFDB015436
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium thiosulfate
Descriptionsodium thiosulfate, also known as sodium oxide sulfide, 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. Based on a literature review a significant number of articles have been published on sodium thiosulfate.
CAS Number7772-98-7
Structure
Thumb
Synonyms
SynonymSource
Anhydrous sodium thiosulfateChEBI
Disodium thiosulfateChEBI
Sodium hyposulfiteChEBI
Sodium oxide sulfideChEBI
Sodium thiosulfate (anhydrous)ChEBI
Sodium thiosulphateChEBI
Thiosulfuric acid, disodium saltChEBI
Anhydrous sodium thiosulfuric acidGenerator
Anhydrous sodium thiosulphateGenerator
Anhydrous sodium thiosulphuric acidGenerator
Disodium thiosulfuric acidGenerator
Disodium thiosulphateGenerator
Disodium thiosulphuric acidGenerator
Sodium hyposulphiteGenerator
Sodium oxide sulphideGenerator
Sodium thiosulfuric acid (anhydrous)Generator
Sodium thiosulphate (anhydrous)Generator
Sodium thiosulphuric acid (anhydrous)Generator
Sodium thiosulfuric acidGenerator
Sodium thiosulphuric acidGenerator
Thiosulfate, disodium saltGenerator
Thiosulphate, disodium saltGenerator
Thiosulphuric acid, disodium saltGenerator
Sodium thiosulfate pentahydrateMeSH
Sodium thiosulfate anhydrousMeSH
Pentahydrate OF sodium thiosulfateMeSH
Ametoxdb_source
Antichlordb_source
NSC 45624db_source
Sodium hyposulfite (van)biospider
Sodium oxide sulfide (Na2S2O3)biospider
Sodium thiosulfate (Na2S2O3)biospider
Sodium thiosulphate (Na2S2O3)biospider
Sodothioldb_source
Sulfactoldb_source
Sulfothiorinedb_source
Thiosulfuric acid (H2S2O3), disodium saltbiospider
Thiosulfuric acid (H2S2O3), sodium salt (1:2)biospider
Thiosulfuric acid disodium salt, 8CIdb_source
Predicted Properties
PropertyValueSource
logP0.048ChemAxon
pKa (Strongest Acidic)11.35ChemAxon
Physiological Charge0ChemAxon
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaNa2O3S2
IUPAC namedisodium 1-oxo-1λ⁶-disulfene-1,1-bis(olate)
InChI IdentifierInChI=1S/2Na.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
InChI KeyAKHNMLFCWUSKQB-UHFFFAOYSA-L
Isomeric SMILES[Na+].[Na+].[O-]S([O-])(=O)=S
Average Molecular Weight158.108
Monoisotopic Molecular Weight157.908424596
Classification
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 sodium salt
  • Inorganic oxide
  • Inorganic sulfide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNa 29.08%; O 30.36%; S 40.56%DFC
Melting Point48.3 °C
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-910ad1be1cc81a150e052019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0900000000-50153280535ef48290042019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0lk9-3900000000-17f8d7872329ee03c6f72019-02-22View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24477
Pubchem Substance IDNot Available
ChEBI ID32150
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBZ50-U:KBZ50-U
EAFUS ID3485
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSodium_thiosulfate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference