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)
DescriptionBleaching agent which may occur adventitiously in food, occurrence not well documented
CAS Number7775-14-6
Structure
Thumb
Synonyms
SynonymSource
Sodium hydrosulfiteChEBI
Sodium sulfoxylateChEBI
Sodium hydrosulphiteGenerator
Sodium sulfoxylic acidGenerator
Sodium sulphoxylateGenerator
Sodium sulphoxylic acidGenerator
Blankitbiospider
Burmolbiospider
Disodium dithionatebiospider
Disodium dithionitebiospider
Disodium hydrosulfitebiospider
Dithionous acid, disodium salt, 8CIdb_source
Dithionous acid, sodium salt (1:2)biospider
Sodium dithionatebiospider
Sodium dithionite (Na2(S2O4))biospider
Sodium hydrosulfite (Na2S2O4)biospider
Sodium hypodisulfitebiospider
Sodium hyposulfitedb_source
Vatrolitebiospider
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
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
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical statesolid
Physical DescriptionNot Available
Mass CompositionNa 26.41%; O 36.76%; S 36.83%DFC
Melting PointMp 300°DFC
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
Spectrum TypeDescriptionSplash Key
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
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
FoodReference
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