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Sulfur Dioxide - Compound Summary (CID 1119)

A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.


Drug and Chemical Information: (Total:1)         

Pharmacological Action

Air Pollutants - Any substance in the air which could, if present in high enough concentration, harm humans, animals, vegetation or material. Substances ...


  Pharmacological Classification
Chemical Actions and Uses
      Toxic Actions
            Environmental Pollutants
                  Air Pollutants


  Chemical Classification
Inorganic Chemicals
      Gases
            Sulfur Dioxide
      Oxygen Compounds
            Oxides
                  Sulfur Oxides
                        Sulfur Dioxide
      Sulfur Compounds
            Sulfur Oxides
                  Sulfur Dioxide


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

NIOSH Pocket Guide - NIOSH Material Data Safety Sheets

NIOSH ICSC - NIOSH International Chemical Safety Cards

NJ-HSFS - New Jersey Material Data Safety Sheets

ATSDR PHSs - Toxicological profile: frequently asked questions

ATSDR ToxFAQs - Toxicological profile: frequently asked questions for consumers

CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests

EINECS - European Inventory of Existing Commercial Chemical Substances

GENETOX - Genetic toxicology information

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature

ITER - Human health risk values


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Depositor-Supplied Synonyms: (Total: 50)
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Properties Computed from Structure:
Molecular Weight64.0638 [g/mol]
Molecular FormulaO2S
XLogP3-AA0.1
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count0
Exact Mass63.9619
MonoIsotopic Mass63.9619
Topological Polar Surface Area34.1
Heavy Atom Count3
Formal Charge0
Complexity18.3
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: sulfur dioxide
Canonical SMILES: O=S=O
InChI: InChI=1S/O2S/c1-3-2
InChIKey: RAHZWNYVWXNFOC-UHFFFAOYSA-N


Compound Information:
CID 1119   
Create Date: 2004-09-16


Similar Compounds: 4 Links


Substance Information:
Substances:
    All: 274 Links
    Same structure: 62 Links
    Mixture: 212 Links

Category: [for same structure substances]
Biological Properties: 6 Links
   CambridgeSoft Corporation ( 1 )
SID 7994877 - External ID: 9161
   ChEBI ( 1 )
SID 8145655 - External ID: CHEBI:18422
   Comparative Toxicogenomics Database ( 1 )
SID 53789829 - External ID: D013458
   DiscoveryGate ( 1 )
SID 8150983 - External ID: 1119
   LeadScope ( 1 )
SID 49857080 - External ID: LS-3224
   NextBio ( 1 )
SID 50314214 - External ID: 1119

Chemical Reactions: 1 Link
   Comparative Toxicogenomics Database ( 1 )
SID 53789829 - External ID: D013458

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 14940409 - External ID: 00212335

Metabolic Pathways: 4 Links
   BioCyc ( 1 )
SID 585110 - External ID: SULFUR-DIOXIDE
   Comparative Toxicogenomics Database ( 1 )
SID 53789829 - External ID: D013458
   KEGG ( 2 )
SID 11497 - External ID: C09306
SID 47207619 - External ID: D05961

Physical Properties: 2 Links
   NIST ( 1 )
SID 10349176 - External ID: 2795057179
   NIST Chemistry WebBook ( 1 )
SID 10534579 - External ID: 2795057179

Protein 3D Structures: 24 Links
   MMDB ( 23 )   
   SMID ( 1 )
SID 7890533 - External ID: SO2

Substance Vendors: 22 Links
   ChemSpider ( 20 )   
   Sigma-Aldrich ( 2 )
SID 24857804 - External ID: 295698_ALDRICH
SID 24888250 - External ID: 84693_FLUKA

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 6698723 - External ID: 5155652

Toxicology: 4 Links
   ChemIDplus ( 2 )
SID 166541 - External ID: 007446095
SID 682266 - External ID: 012624327
   Comparative Toxicogenomics Database ( 1 )
SID 53789829 - External ID: D013458
   EPA DSSTox ( 1 )
SID 48420069 - External ID: 29673

     

2D

3D

Compound ID1119
Molecular Weight64.0638 [g/mol]
Molecular FormulaO2S
XLogP3-AA0.1
H-Bond Donor0
H-Bond Acceptor2


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