Record Information
Version1.0
Creation date2010-04-08 22:10:28 UTC
Update date2015-07-20 22:55:31 UTC
Primary IDFDB012995
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium dithionite (Na2S2O4)
Descriptionsodium dithionite, also known as dithionite or sodium hydrosulfite, belongs to the class of inorganic compounds known as alkali metal dithionites. These are inorganic compounds in which the largest oxoanion is dithionite, 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 dithionite.
CAS Number7775-14-6
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP-1.5ChemAxon
pKa (Strongest Acidic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity17.28 m³·mol⁻¹ChemAxon
Polarizability8.41 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaNa2O4S2
IUPAC namedisodium sulfinatosulfinate
InChI IdentifierInChI=1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2
InChI KeyJVBXVOWTABLYPX-UHFFFAOYSA-L
Isomeric SMILES[Na+].[Na+].[O-]S(=O)S([O-])=O
Average Molecular Weight174.107
Monoisotopic Molecular Weight173.903339218
Classification
Description Belongs to the class of inorganic compounds known as alkali metal dithionites. These are inorganic compounds in which the largest oxoanion is dithionite, 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 dithionites
Direct ParentAlkali metal dithionites
Alternative Parents
Substituents
  • Alkali metal dithionite
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0900000000-7326424b04aa217963222019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0900000000-61ecabcc0ff2cc72aafa2019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9200000000-15f65350f51e8677ecc62019-02-22View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24489
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHNR87-V:HNR87-V
EAFUS ID3443
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_dithionite
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
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