<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-26 05:26:23 UTC</creation_date>
  <update_date>2026-04-06 14:51:32 UTC</update_date>
  <accession/>
  <common_name>Hydrogen sulfite</common_name>
  <class>SmallMolecule</class>
  <description>Hydrogen sulfite is an inorganic compound with the chemical formula HO3S and an average molecular weight of 81.07 g/mol. Hydrogen sulfite belongs to the non-metal sulfites, a subclass of non-metal oxoanionic compounds within the inorganic compounds. It is further categorized as a homogeneous non-metal compound.

The compound is associated with 42 recorded sources from which it is found in or released. Within the category of electrical and electronic equipment, these sources include amplifiers, antennas, auxiliary devices, communication cables or conductors, and colour television systems, among 17 others. In building and construction, it is found in ceilings, fencing, floors, roofs, and sunshades awnings or outside screens, as well as two additional sources. Regarding food, food processing and cookware, the compound is linked to the processing of fish, the preparation of malt, the preparation of wort, the preparation of wine or sparkling wine, and molasses and treatment of molasses, among two other sources. Additionally, it is identified in household cleaning and consumer products, specifically in soap dispensers, ash trays, non electric simulated smoking devices, other smoking requisites, pipe accessories, and one further source.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>bisulfite</synonym>
  </synonyms>
  <chemical_formula>HO3S</chemical_formula>
  <average_molecular_weight>81.071</average_molecular_weight>
  <monisotopic_moleculate_weight>80.964639588</monisotopic_moleculate_weight>
  <iupac_name>sulfurous acid</iupac_name>
  <traditional_iupac>sulfurous acid</traditional_iupac>
  <cas_registry_number>15181-46-1</cas_registry_number>
  <smiles>OS([O-])=O</smiles>
  <inchi>InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1</inchi>
  <inchikey>LSNNMFCWUKXFEE-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal sulfites</sub_class>
    <direct_parent>Non-metal sulfites</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal sulfite</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>a small molecule</descriptor>
      <descriptor>sulfur oxoacid</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <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>sulfurous acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>81.071</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>80.964639588</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OS([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>HO3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LSNNMFCWUKXFEE-UHFFFAOYSA-M</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>0</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:0x00007f3bf3725520&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>104748</pubchem_compound_id>
  <chembl_id/>
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  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
