Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2018-05-29 01:04:58 UTC
Primary IDFDB013399
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSulfur dioxide
DescriptionFood preservative. Sanitising agent for food containers and fermentation equipmentand is) also used in foods as stabiliser, moisture control agent, flavour modifier and texturiser
CAS Number7446-09-5
Structure
Thumb
Synonyms
SynonymSource
[SO2]ChEBI
R-764ChEBI
Schwefel(IV)-oxidChEBI
SchwefeldioxidChEBI
SO2ChEBI
Sulfurous anhydrideChEBI
Sulfurous oxideChEBI
Sulphur dioxideChEBI
Sulphurous anhydrideGenerator
Sulphurous oxideGenerator
Anhydride, sulfurousHMDB
Dioxide, sulfurHMDB
DioxidosulfurHMDB
e220HMDB
FEMA 3039HMDB
Fermenicide liquidHMDB
Fermenicide powderHMDB
oxoSulfane oxideHMDB
Siarki dwutlenekHMDB
Sulfur dioxide (NF)HMDB
Sulfur dioxide (so2)HMDB
Sulfur dioxide (so2) 10% by volume or more so2HMDB
Sulfur oxideHMDB
Sulfur oxide (so2)HMDB
Sulfur superoxideHMDB
Sulfur-dioxideHMDB
Sulfurous acid anhydrideHMDB
Surfur dioxide (anhydrous)HMDB
E220db_source
Oxosulfane oxidebiospider
Sulfur dioxidebiospider
Sulfur dioxide (SO2)biospider
Sulfur dioxide (SO2) 10% by volume or more SO2biospider
Sulfur dioxide [UN1079] [Poison gas]biospider
Sulfur oxide (SO2)db_source
Predicted Properties
PropertyValueSource
logP0.32ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.64 m³·mol⁻¹ChemAxon
Polarizability4.25 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaO2S
IUPAC name(oxo-λ⁴-sulfanylidene)oxidane
InChI IdentifierInChI=1S/O2S/c1-3-2
InChI KeyRAHZWNYVWXNFOC-UHFFFAOYSA-N
Isomeric SMILESO=S=O
Average Molecular Weight64.064
Monoisotopic Molecular Weight63.961899934
Classification
Description belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionO 49.95%; S 50.05%DFC
Melting PointMp -75.48°DFC
Boiling PointBp -10.02°DFC
Experimental Water Solubility107 mg/mL at 21 oCVENABLE,CS & FUWA,T (1922)
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 ID1087
ChEMBL IDCHEMBL1235997
KEGG Compound IDC09306
Pubchem Compound ID1119
Pubchem Substance IDNot Available
ChEBI ID18422
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34834
CRC / DFC (Dictionary of Food Compounds) IDHVF10-P:HVF10-P
EAFUS ID3575
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDSO2
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
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
Flavours
FlavorCitations
bitter
  1. Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference