<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 01:45:21 UTC</creation_date>
  <update_date>2026-05-14 19:39:30 UTC</update_date>
  <accession/>
  <common_name>Sodium bisulfite</common_name>
  <class>SmallMolecule</class>
  <description>Sodium bisulfite is an inorganic compound with the chemical formula H2NaO3S and an average molecular weight of 105.06 g/mol. Sodium bisulfite belongs to the alkali metal sulfites, a subclass of alkali metal oxoanionic compounds within the inorganic compounds. It is further categorized as a mixed metal/non-metal compound.

This substance serves a wide variety of industrial roles and uses, including acting as a stabilizing agent, preservative, antioxidant, reducing agent, biocide, thickening agent, surface modifier, dye, and filler (PMC5063913). Additionally, it is utilized as a food preservative, food additive, and as a flavouring and nutrient (PMC5063913). It is also employed as a processing aid not otherwise specified (PMC5063913).

Sodium bisulfite is found in or released from eleven recorded sources. Within the category of food, food processing and cookware, it is associated with the processing of fish and the preparation of malt, vinegar, and wort. In building and construction, it is found in ceilings and roofs. It is present in electrical and electronic equipment, specifically in antennas and superconductive or hyperconductive conductors cables or transmission lines. Furthermore, it is found in household items such as coins, as well as in household cleaning and consumer products including tobacco product cases and pipe accessories.</description>
  <categories/>
  <types>
    <type>Human Neurotoxin</type>
  </types>
  <synonyms>
    <synonym>Sodium hydrogen sulfite</synonym>
    <synonym>Sulfurous acid, monosodium salt</synonym>
  </synonyms>
  <chemical_formula>H2NaO3S</chemical_formula>
  <average_molecular_weight>105.06</average_molecular_weight>
  <monisotopic_moleculate_weight>104.9616858</monisotopic_moleculate_weight>
  <iupac_name>sodium sulfurous acid</iupac_name>
  <traditional_iupac>sodium sulfurous acid</traditional_iupac>
  <cas_registry_number>7631-90-5</cas_registry_number>
  <smiles>[Na+].OS(O)=O</smiles>
  <inchi>InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;</inchi>
  <inchikey>DWAQJAXMDSEUJJ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <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>
    <direct_parent>Alkali metal sulfites</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkali metal sulfite</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Sodium bisulfite Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0145069</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>1.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>sodium sulfurous acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>105.06</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>104.9616858</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Na+].OS(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>H2NaO3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DWAQJAXMDSEUJJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>57.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>12.33</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>5.76</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>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf10dbf40&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB14015</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>23665763</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
