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Identification
YMDB IDYMDB00303
NameThiosulfate
SpeciesSaccharomyces cerevisiae
StrainBaker's yeast
DescriptionThiosulfate, also known as thiosulfuric acid or [so2(OH)(SH)], 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. Thiosulfate is an extremely strong acidic compound (based on its pKa). Thiosulfate exists in all living species, ranging from bacteria to humans.
Structure
Thumb
Synonyms
  • Hyposulfite
  • S-hydril
  • Sodium hyposulfite
  • Sodium thiosulfate
  • Sodium thiosulfate anhydrous
  • Sulfactol
  • Thiosulfate
  • Thiosulfate ion
  • Thiosulfic acid
  • thiosulfuric acid
  • Thiosulphate
  • [SO2(OH)(SH)]
  • H2S2O3
  • Thiosulphuric acid
  • Hydroxidodioxidosulfidosulfuric acid
  • Hydroxidodioxidosulphidosulphate
  • Hydroxidodioxidosulphidosulphuric acid
CAS number14383-50-7
WeightAverage: 112.128
Monoisotopic: 111.928885246
InChI KeyDHCDFWKWKRSZHF-UHFFFAOYSA-L
InChIInChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
IUPAC Namesulfanesulfonic acid
Traditional IUPAC Namesulfurothioic S-acid
Chemical FormulaO3S2
SMILES[O-]S([O-])(=O)=S
Chemical Taxonomy
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
Physical Properties
StateSolid
Charge0
Melting point48 °C
Experimental Properties
PropertyValueReference
Water Solubility861 mg/mL [HMP experimental]PhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
logP-0.096ChemAxon
pKa (Strongest Acidic)-2.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area54.37 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity17.76 m³·mol⁻¹ChemAxon
Polarizability8.29 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
Sulfur metabolismPW002483 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Cysteine and methionine metabolismec00270 Map00270
Sulfur metabolismec00920 Map00920
SMPDB Reactions
Cyanide + ThiosulfateThiocyanate + Sulfite + hydron
ThiosulfateSulfate
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-2900000000-0340aa179a944cddc03fJSpectraViewer
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-00di-9200000000-8d6f9db7b85e719b5336JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-05fr-9000000000-5140dc89fca222f5cb69JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0ab9-9000000000-2876b0d2bddab26086e9JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-2900000000-cfd5e2fee5605aa6f365JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-1900000000-14f35b6955762fa5ef9cJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01pk-9300000000-6d71fc2acfdc5c953636JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-4fefeb50f8b5131bb095JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-1900000000-25562aa85ac0e34c2f5bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-1900000000-c55a98b5b4d32b24a3cdJSpectraViewer
References
References:
  • UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
  • Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
Synthesis Reference:Serikova, E. A.; Racheva, I. V. Method for producing sodium thiosulfate. U.S.S.R. (1986), CODEN: URXXAF SU 1279954 A1 19861230 Patent written in Russian.
External Links:
ResourceLink
CHEBI ID16094
HMDB IDHMDB00257
Pubchem Compound ID439208
Kegg IDC00320
ChemSpider ID1054
FOODB IDFDB034578
WikipediaThiosulfate
BioCyc IDS2O3

Enzymes

General function:
Involved in thiosulfate sulfurtransferase activity
Specific function:
Thiosulfate + cyanide = sulfite + thiocyanate
Gene Name:
Not Available
Uniprot ID:
Q08686
Molecular weight:
34218.60156
Reactions
Thiosulfate + cyanide → sulfite + thiocyanate.
General function:
Inorganic ion transport and metabolism
Specific function:
Thiosulfate + cyanide = sulfite + thiocyanate
Gene Name:
FMP31
Uniprot ID:
Q08742
Molecular weight:
16697.19922
Reactions
Thiosulfate + cyanide → sulfite + thiocyanate.
General function:
Inorganic ion transport and metabolism
Specific function:
Thiosulfate + cyanide = sulfite + thiocyanate
Gene Name:
Not Available
Uniprot ID:
Q12305
Molecular weight:
15413.2002
Reactions
Thiosulfate + cyanide → sulfite + thiocyanate.
General function:
Involved in iron ion binding
Specific function:
Electron carrier protein. The oxidized form of the cytochrome c heme group can accept an electron from the heme group of the cytochrome c1 subunit of cytochrome reductase. Cytochrome c then transfers this electron to the cytochrome oxidase complex, the final protein carrier in the mitochondrial electron-transport chain
Gene Name:
CYC1
Uniprot ID:
P00044
Molecular weight:
12181.90039
Reactions
General function:
Involved in iron ion binding
Specific function:
Electron carrier protein. The oxidized form of the cytochrome c heme group can accept an electron from the heme group of the cytochrome c1 subunit of cytochrome reductase. Cytochrome c then transfers this electron to the cytochrome oxidase complex, the final protein carrier in the mitochondrial electron-transport chain
Gene Name:
CYC7
Uniprot ID:
P00045
Molecular weight:
12532.2998
Reactions