Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB000108
Name: Thiosulfate
Description:Thiosulfate occurs naturally in hot springs and geysers, and is produced by certain biochemical processes. 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.
  • Hyposulfite
  • Hyposulphite
  • S-Hydril
  • S2O3
  • S2O3-2
  • S2O32-
  • S2O3
  • S2O3-2
  • S2O32-
  • Sodium hyposulfite
  • Sodium hyposulphite
  • Sodium oxide sulfide (Na2S2O3)
  • Sodium oxide sulphide (Na2S2O3)
  • Sodium thiosulfate
  • Sodium thiosulfate (Na2S2O3)
  • Sodium thiosulfate anhydrous
  • Sodium thiosulfuric acid
  • Sodium thiosulfuric acid (na2S2O3)
  • Sodium thiosulfuric acid anhydrous
  • Sodium thiosulphate
  • Sodium thiosulphate (Na2S2O3)
  • Sodium thiosulphate anhydrous
  • Sodium thiosulphuric acid
  • Sodium thiosulphuric acid (na2S2O3)
  • Sodium thiosulphuric acid anhydrous
  • Sulfactol
  • Sulphactol
  • Thiosulfate
  • Thiosulfate (H2S2O3)
  • Thiosulfate ion
  • Thiosulfurate
  • Thiosulfurate (H2S2O3)
  • Thiosulfuric acid
  • Thiosulfuric acid (H2S2O3)
  • Thiosulfuric acid ion
  • Thiosulphate
  • Thiosulphate (H2S2O3)
  • Thiosulphate ion
  • Thiosulphurate
  • Thiosulphurate (H2S2O3)
  • Thiosulphuric acid
  • Thiosulphuric acid (H2S2O3)
  • Thiosulphuric acid ion
Chemical Formula: O3S2
Average Molecular Weight: 112.128
Monoisotopic Molecular Weight: 111.928885246
CAS number: 14383-50-7
IUPAC Name:dihydroxy-1???disulfen-1-one
Traditional IUPAC Name: thiosulfuric acid
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as non-metal thiosulfates. These are inorganic non-metallic compoundscontaining a thiosulfate as its largest oxoanion.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Non-metal oxoanionic compounds
Sub ClassNon-metal thiosulfates
Direct Parent Non-metal thiosulfates
Alternative Parents
  • Non-metal thiosulfate
  • Inorganic oxide
  • Inorganic sulfide
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Solid
Melting point: 48 °C
Experimental Properties:
Water Solubility:861 mg/mL [HMP experimental]PhysProp
Predicted Properties
pKa (Strongest Acidic)11.35ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity21.76 m3·mol-1ChemAxon
Polarizability8.51 Å3ChemAxon
Number of Rings0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-2900000000-cfd5e2fee5605aa6f365View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-1900000000-14f35b6955762fa5ef9cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01pk-9300000000-6d71fc2acfdc5c953636View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-4fefeb50f8b5131bb095View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-1900000000-25562aa85ac0e34c2f5bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-1900000000-c55a98b5b4d32b24a3cdView in MoNA
  • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
  • Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 Mar 3. doi: 10.1038/nbt.2488. Pubmed: 23455439
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.
Material Safety Data Sheet (MSDS) Download (PDF)
External Links:
Pubchem Compound ID439208
Kegg IDC00320
ChemSpider ID1054
BioCyc IDS2O3
EcoCyc IDS2O3
Ligand ExpoTHJ