Record Information
Version1.0
Creation date2011-09-21 00:05:12 UTC
Update date2015-10-09 22:30:48 UTC
Primary IDFDB021921
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameThiosulfate
DescriptionThiosulfate occurs naturally in hot springs and geysers, and is produced by certain biochemical processes. In the body, thiosulfate converts small amounts of cyanide ion into harmless products and plays a role in the biosynthesis of cysteine, a sulfur-containing amino acid that locks proteins into their correct three-dimensional shapes. Thiosulfate is not found in large quantities in nature. Solutions of thiosulfate break down into sulfur, sulfites, and sulfates when exposed to acids, light, metal ions, and bacteria. Thiosulfate is sometimes used as an antidote for cyanide poisoning. It reacts with cyanide to produce sulfite and thiocyanate ions: CN- + S2O32- SCN- + SO32- This reaction is catalyzed by an enzyme produced by cell mitochondria to neutralize small quantities of ingested cyanide (which occurs naturally in cassava root, lima beans, and almonds!). Thiosulfate is an intermediate in several biochemical pathways, including the synthesis of L-cysteine. Thiosulfate is manufactured by some cells by oxidation of elemental sulfur and by degradation of L-cysteine. Use: Photography (fixing agent to dissolve unchanged silver salts from exposed negatives), chrome tanning, removing chlorine in bleaching and papermaking, extraction of silver from its ores, dechlorination of water, mordant, reagent, bleaching, reducing agent in chrome dyeing, sequestrant in salt (up to 0.1%), antidote for cyanide poisoning. (Hawley's Condensed Chemical Dictionary) Source/Synthesis: Synthesis by dehydration of the pentahydrate at 105 degree. Alternatively formed by reaction of S2Cl2 with Na2O2 or by reduction of Na2S2O4 with sodium amalgam Use/Importance: Commercially available Biological Use/Importance: Cyanide antidote often administered with other antidotes, antifungal agent (ChemNetBase) Sodium thiosulfate is a common analytical reagent used in iodometric titration to analyze chlorine, bromine, and sulfide. Other uses are in bleaching paper pulp, bleaching straw, ivory, and bones, for removing chlorine from solutions, silver extraction from its ores, a mordant in dyeing and printing textiles, and as an antidote to cyanide poisoning. Another major application is in photography, where it is used as a fixer to dissolve unchanged silver salts from exposed negatives. (Handbook of Inorganic Chemicals) [HMDB]
CAS Number14383-50-7
Structure
Thumb
Synonyms
SynonymSource
[SO3S](2-)ChEBI
HyposulfiteChEBI
S2O3ChEBI
S2O3(2-)ChEBI
TETRATHIONATEChEBI
Thiosulfate ion(2-)ChEBI
ThiosulphateChEBI
Trioxido-1kappa(3)O-disulfate(S--S)(2-)ChEBI
HyposulphiteGenerator
TETRATHIONic acidGenerator
Thiosulfuric acid ion(2-)Generator
Thiosulphate ion(2-)Generator
Thiosulphuric acid ion(2-)Generator
Thiosulfuric acidGenerator
Thiosulphuric acidGenerator
Trioxido-1kappa(3)O-disulfuric acid(S--S)(2-)Generator
Trioxido-1kappa(3)O-disulphate(S--S)(2-)Generator
Trioxido-1kappa(3)O-disulphuric acid(S--S)(2-)Generator
S-HydrilHMDB
Sodium hyposulfiteHMDB
Sodium oxide sulfide (na2S2O3)HMDB
Sodium thiosulfateHMDB
Sodium thiosulfate (na2S2O3)HMDB
Sodium thiosulfate anhydrousHMDB
Sodium thiosulphateHMDB
Sodium thiosulphate (na2S2O3)HMDB
Sodium thiosulphate anhydrousHMDB
SulfactolHMDB
Thiosulfate ionHMDB
Thiosulfuric acid (H2S2O3)HMDB
Thiosulphate ionHMDB
Thiosulfatehmdb
Thiosulfic acidhmdb
Predicted Properties
PropertyValueSource
logP-0.096ChemAxon
pKa (Strongest Acidic)-2.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area57.2 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.52 m³·mol⁻¹ChemAxon
Polarizability7.69 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaO3S2
IUPAC namesulfanidesulfonate
InChI IdentifierInChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChI KeyDHCDFWKWKRSZHF-UHFFFAOYSA-L
Isomeric SMILES[O-]S([S-])(=O)=O
Average Molecular Weight112.128
Monoisotopic Molecular Weight111.928885246
Classification
Description Belongs to the class of inorganic compounds known as non-metal thiosulfates. These are inorganic non-metallic compounds containing a thiosulfate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal thiosulfates
Direct ParentNon-metal thiosulfates
Alternative Parents
Substituents
  • Non-metal thiosulfate
  • Inorganic oxide
  • Inorganic sulfide
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
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
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-00di-9200000000-8d6f9db7b85e719b5336Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-05fr-9000000000-5140dc89fca222f5cb69Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0ab9-9000000000-2876b0d2bddab26086e9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-ca0243d22ff1e52377a0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-ea8f5087d8763ee850f4Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0il0-5900000000-3a093645a204ceb1b1c9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-4900000000-86c6406b4cedf7a6523dSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01q9-9600000000-73a3216ef62b3069646cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-5900000000-1b99e91e48442f1b5c46Spectrum
NMRNot Available
ChemSpider ID1054
ChEMBL IDNot Available
KEGG Compound IDC00320
Pubchem Compound ID1084
Pubchem Substance IDNot Available
ChEBI ID16094
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00257
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID34610
KNApSAcK IDNot Available
HET IDTHJ
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDThiosulfate
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
Enzymes
NameGene NameUniProt ID
3-mercaptopyruvate sulfurtransferaseMPSTP25325
Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1TSTD1Q8NFU3
Uridine 5'-monophosphate synthaseUMPSP11172
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference