<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:49 UTC</creation_date>
  <update_date>2025-11-19 00:54:43 UTC</update_date>
  <accession>FDB015396</accession>
  <name>Sodium sulfite (Na2SO3)</name>
  <description>It is used as a sanitising agent for food containers and fermentation equipment, as a preservative to reduce or prevent microbial spoilage of food, as a selective inhibitor of undesirable microorganisms in the fermentation industries, and as an antioxidant and inhibitor of enzyme-catalysed oxidative discoloration and non-enzymic browning during prepn., storage and distribution of foods</description>
  <synonyms>
    <synonym>Anhydrous sodium sulfite</synonym>
    <synonym>Disodium sulfite</synonym>
    <synonym>Disodium sulfite (Na2SO3)</synonym>
    <synonym>E221</synonym>
    <synonym>Exsiccated sodium sulfite</synonym>
    <synonym>NatrII sulphis</synonym>
    <synonym>Natrium sulfurosum</synonym>
    <synonym>Natriumsulfid</synonym>
    <synonym>Natriumsulfit</synonym>
    <synonym>S-wat</synonym>
    <synonym>Sodium sulfite</synonym>
    <synonym>Sodium sulfite (2:1)</synonym>
    <synonym>Sodium sulfite anhydrous</synonym>
    <synonym>Sodium sulfite, exsiccated</synonym>
    <synonym>Sodium sulphite</synonym>
    <synonym>Sulftech</synonym>
    <synonym>Sulfurous acid disodium salt, 8CI</synonym>
    <synonym>Sulfurous acid, disodium salt</synonym>
    <synonym>Sulfurous acid, sodium salt (1:2)</synonym>
  </synonyms>
  <chemical_formula>Na2O3S</chemical_formula>
  <average_molecular_weight>126.043</average_molecular_weight>
  <monisotopic_moleculate_weight>125.936353906</monisotopic_moleculate_weight>
  <iupac_name>disodium sulfite</iupac_name>
  <traditional_iupac>disodium sulfite</traditional_iupac>
  <cas_registry_number>7757-83-7</cas_registry_number>
  <smiles>[Na+].[Na+].[O-]S([O-])=O</smiles>
  <inchi>InChI=1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2</inchi>
  <inchikey>GEHJYWRUCIMESM-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkali metal sulfites. These are inorganic compounds in which the largest oxoanion is sulfite, and in which the heaviest atom not in an oxoanion is an alkali metal.</description>
    <direct_parent>Alkali metal sulfites</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkali metal oxoanionic compounds</class>
    <sub_class>Alkali metal sulfites</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic sodium salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkali metal sulfite</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Inorganic sodium salt</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>inorganic sodium salt</external_descriptor>
      <external_descriptor>sulfite salt</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>-3.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>disodium sulfite</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>126.043</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>125.936353906</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na+].[Na+].[O-]S([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Na2O3S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GEHJYWRUCIMESM-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>63.19</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>10.08</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>5.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1302943</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1302944</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1302945</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
