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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:50:04 UTC
Update Date2019-07-23 06:17:13 UTC
HMDB IDHMDB0034906
Secondary Accession Numbers
  • HMDB34906
Metabolite Identification
Common NameZinc dithionite
DescriptionZinc dithionite, also known as dithionige saeure or H2S2O4, belongs to the class of inorganic compounds known as non-metal dithionites. These are inorganic non-metallic compounds containing a dithionite as its largest oxoanion. Zinc dithionite is a moderately acidic compound (based on its pKa). Zinc dithionite is a potentially toxic compound. Ingestion of large doses of zinc causes stomach cramps, nausea, and vomiting. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. These are inorganic compounds in which the largest oxoanion is dithionite, and in which the heaviest atom not in an oxoanion is a transition metal. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Dermal contact with zinc results in skin irritation.
Structure
Data?1563862633
Synonyms
ValueSource
[(HO)(O)SS(O)(OH)]ChEBI
Dithionige saeureChEBI
H2S2O4ChEBI
Hypodisulfurous acidChEBI
Hypodisulphurous acidGenerator
Chemical FormulaH2O4S2
Average Molecular Weight130.143
Monoisotopic Molecular Weight129.939449932
IUPAC Namesulfinosulfinic acid
Traditional Namedithionous acid
CAS Registry Number7779-86-4
SMILES
OS(=O)S(O)=O
InChI Identifier
InChI=1S/H2O4S2/c1-5(2)6(3)4/h(H,1,2)(H,3,4)
InChI KeyGRWZHXKQBITJKP-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal dithionites. These are inorganic non-metallic compounds containing a dithionite as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal dithionites
Direct ParentNon-metal dithionites
Alternative Parents
Substituents
  • Non-metal dithionite
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Role

Industrial application:

Environmental role:

Biological role:

Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.5ChemAxon
pKa (Strongest Acidic)1.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity19.53 m³·mol⁻¹ChemAxon
Polarizability9 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03fr-9600000000-81ec26324370d2795acaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-01t9-5900000000-d84d2bd76ffc92df9910Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-b6fca4dab9adcb67e53aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9300000000-557b9897a6c680d04027Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-68c9dcf59fad2d02e586Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03e9-2900000000-547773e64f06719ae885Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-02ai-9600000000-45b5412bb8945294c3e9Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDithionous acid
METLIN IDNot Available
PubChem Compound24490
PDB IDNot Available
ChEBI ID29253
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .