Record Information
Version1.0
Creation Date2016-05-19 01:45:07 UTC
Update Date2016-11-09 01:09:21 UTC
Accession NumberCHEM004437
Identification
Common NameSulfur dioxide
ClassSmall Molecule
Description
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • OECD HPV Chemicals
  • OSHA Hazardous Chemicals
  • Tobacco Smoke Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
[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
Chemical FormulaO2S
Average Molecular Mass64.064 g/mol
Monoisotopic Mass63.962 g/mol
CAS Registry Number7446-09-5
IUPAC Name(oxo-λ⁴-sulfanylidene)oxidane
Traditional Namesulfur dioxide
SMILESO=S=O
InChI IdentifierInChI=1S/O2S/c1-3-2
InChI KeyRAHZWNYVWXNFOC-UHFFFAOYSA-N
Chemical Taxonomy
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 Parents
Substituents
  • Other non-metal oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
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 FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9000000000-bbfabf900d287a000b60Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-5b7f4b63a1332198f1ddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-5b7f4b63a1332198f1ddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-5b7f4b63a1332198f1ddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-6b67d68ad3886a960ba6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-6b67d68ad3886a960ba6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-6b67d68ad3886a960ba6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-2c4a3db8921d94d7f526Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-2c4a3db8921d94d7f526Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-2c4a3db8921d94d7f526Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0034834
FooDB IDFDB013399
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDSO2
Wikipedia LinkSulfur dioxide
Chemspider ID1087
ChEBI ID18422
PubChem Compound ID1119
Kegg Compound IDC09306
YMDB IDYMDB01785
ECMDB IDECMDB21359
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Li L, Moore PK: An overview of the biological significance of endogenous gases: new roles for old molecules. Biochem Soc Trans. 2007 Nov;35(Pt 5):1138-41.
2. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.