Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2018-05-29 01:04:51 UTC
Primary IDFDB013391
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSulfurous acid
DescriptionFood additive listed on the EAFUS Food Additive Database (Jan. 2001) Sulfurous acid (not to be confused with Sulfuric acid) is the chemical compound with the formula H2SO3. There is no evidence that sulfurous acid exists in solution, but the molecule has been detected in the gas phase. The conjugate bases of this elusive acid are, however, common anions, bisulfite (or hydrogensulfite) and sulfite. Aqueous solutions of sulfur dioxide, which sometimes are referred to as sulfurous acid are used as reducing agents and as disinfectants, as are solutions of bisulfite and sulfite salts. They are also mild bleaches, and are used for materials which may be damaged by chlorine-containing bleaches.
CAS Number7782-99-2
Structure
Thumb
Synonyms
SynonymSource
[SO(OH)2]ChEBI
Acide sulfureuxChEBI
Acido sulfurosoChEBI
H2SO3ChEBI
S(O)(OH)2ChEBI
Schweflige saeureChEBI
Sulphurous acidChEBI
Sulfurous acidKegg
Acide sulphureuxGenerator
Acido sulphurosoGenerator
SulphiteGenerator
Sulfur dioxide solutionHMDB
Sulfuric(IV) acid (H2SO3)HMDB
SulfiteChEBI
Hydrogen sulfiteHMDB
Predicted Properties
PropertyValueSource
logP-1.2ChemAxon
pKa (Strongest Acidic)1.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.33 m³·mol⁻¹ChemAxon
Polarizability5.76 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH2O3S
IUPAC namesulfurous acid
InChI IdentifierInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
InChI KeyLSNNMFCWUKXFEE-UHFFFAOYSA-N
Isomeric SMILESOS(O)=O
Average Molecular Weight82.079
Monoisotopic Molecular Weight81.97246462
Classification
Description belongs to the class of inorganic compounds known as non-metal sulfites. These are inorganic non-metallic compounds containing a sulfite as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal sulfites
Direct ParentNon-metal sulfites
Alternative Parents
Substituents
  • Non-metal sulfite
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateGas
Physical DescriptionNot Available
Mass CompositionH 2.46%; O 58.48%; S 39.07%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKapKa2 7.21 (25°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-6e01fa26fbebd72ad6acView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-0ue9-9000000000-f7ae469c0c0eb80e5bb9View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-001i-9300000000-8bbaba610a5e9ef617feView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0udi-9300000000-460847a9238bf81b4b9cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-0d5af2beca96b50eac8aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-42884a642ace9e213e65View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01q9-9000000000-5357c61e80aaefe2133cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-a7737b78e8d12bda4559View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-1920e0308a2b8b74a3f4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-1920e0308a2b8b74a3f4View in MoNA
ChemSpider ID1069
ChEMBL IDCHEMBL1161699
KEGG Compound IDC00094
Pubchem Compound ID1100
Pubchem Substance IDNot Available
ChEBI ID48854
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34829
CRC / DFC (Dictionary of Food Compounds) IDHVC57-T:HVC57-T
EAFUS ID3577
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSulfurous_acid
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
Enzymes
NameGene NameUniProt ID
3-mercaptopyruvate sulfurtransferaseMPSTP25325
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference