<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:41 UTC</creation_date>
  <update_date>2025-11-18 23:44:18 UTC</update_date>
  <accession>FDB013399</accession>
  <name>Sulfur dioxide</name>
  <description>Food preservative. Sanitising agent for food containers and fermentation equipmentand is) also used in foods as stabiliser, moisture control agent, flavour modifier and texturiser</description>
  <synonyms>
    <synonym>[SO2]</synonym>
    <synonym>Anhydride, sulfurous</synonym>
    <synonym>Dioxide, sulfur</synonym>
    <synonym>Dioxidosulfur</synonym>
    <synonym>E220</synonym>
    <synonym>FEMA 3039</synonym>
    <synonym>Fermenicide liquid</synonym>
    <synonym>Fermenicide powder</synonym>
    <synonym>Oxosulfane oxide</synonym>
    <synonym>R-764</synonym>
    <synonym>Schwefel(IV)-oxid</synonym>
    <synonym>Schwefeldioxid</synonym>
    <synonym>Siarki dwutlenek</synonym>
    <synonym>SO2</synonym>
    <synonym>Sulfur dioxide</synonym>
    <synonym>Sulfur dioxide (NF)</synonym>
    <synonym>Sulfur dioxide (SO2)</synonym>
    <synonym>Sulfur dioxide (SO2) 10% by volume or more SO2</synonym>
    <synonym>Sulfur dioxide [UN1079] [Poison gas]</synonym>
    <synonym>Sulfur oxide</synonym>
    <synonym>Sulfur oxide (SO2)</synonym>
    <synonym>Sulfur superoxide</synonym>
    <synonym>Sulfur-dioxide</synonym>
    <synonym>Sulfurous acid anhydride</synonym>
    <synonym>Sulfurous anhydride</synonym>
    <synonym>Sulfurous oxide</synonym>
    <synonym>Sulphur dioxide</synonym>
    <synonym>Sulphurous anhydride</synonym>
    <synonym>Sulphurous oxide</synonym>
    <synonym>Surfur dioxide (anhydrous)</synonym>
  </synonyms>
  <chemical_formula>O2S</chemical_formula>
  <average_molecular_weight>64.064</average_molecular_weight>
  <monisotopic_moleculate_weight>63.961899934</monisotopic_moleculate_weight>
  <iupac_name>(oxo-λ⁴-sulfanylidene)oxidane</iupac_name>
  <traditional_iupac>sulfur dioxide</traditional_iupac>
  <cas_registry_number>7446-09-5</cas_registry_number>
  <smiles>O=S=O</smiles>
  <inchi>InChI=1S/O2S/c1-3-2</inchi>
  <inchikey>RAHZWNYVWXNFOC-UHFFFAOYSA-N</inchikey>
  <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'.</description>
    <direct_parent>Other non-metal oxides</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Other non-metal organides</class>
    <sub_class>Other non-metal oxides</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Other non-metal oxide</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>a non-metabolic compound</external_descriptor>
      <external_descriptor>sulfur oxide</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp -75.48°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.32</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>(oxo-λ⁴-sulfanylidene)oxidane</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>64.064</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>63.961899934</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O=S=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>O2S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/O2S/c1-3-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>RAHZWNYVWXNFOC-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>34.14</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>8.64</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>4.25</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>6690</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>6691</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>3391</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>173260</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27773</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27774</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27775</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34331</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34332</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34333</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2666350</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2666351</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2666352</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB34834</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>18422</chebi_id>
  <biocyc_id/>
  <het_id>SO2</het_id>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce326ba2f0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce326b9d00&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
    <flavor>
      <name>bitter</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
