<?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 00:54:41 UTC</update_date>
  <accession>FDB015393</accession>
  <name>Sodium hydrogen sulfate</name>
  <description>Acidity regulator</description>
  <synonyms>
    <synonym>BIF</synonym>
    <synonym>Bisulfate of soda</synonym>
    <synonym>E514?</synonym>
    <synonym>Fanal</synonym>
    <synonym>GBS</synonym>
    <synonym>Monosodium hydrogen sulfate</synonym>
    <synonym>Monosodium sulfate</synonym>
    <synonym>Niter cake</synonym>
    <synonym>Nitre cake</synonym>
    <synonym>Sodium acid sulfate</synonym>
    <synonym>Sodium bisulfate</synonym>
    <synonym>Sodium bisulfate, fused</synonym>
    <synonym>Sodium bisulfate, solid(dot)</synonym>
    <synonym>Sodium hydrogen sulfate (NaHSO4)</synonym>
    <synonym>Sodium hydrogen sulfate, solid (dot)</synonym>
    <synonym>Sodium hydrogensulphate</synonym>
    <synonym>Sodium hydrosulfate</synonym>
    <synonym>Sodium pyrosulfate</synonym>
    <synonym>Sodium sulfate, NaHSO4</synonym>
    <synonym>Sulfuric acid monosodium salt</synonym>
    <synonym>Sulfuric acid monosodium salt, 8CI</synonym>
    <synonym>Sulfuric acid, monosodium salt</synonym>
    <synonym>Sulfuric acid, sodium salt (1:1)</synonym>
    <synonym>WC-klosettreiniger</synonym>
    <synonym>WC-perfect</synonym>
    <synonym>WC-super</synonym>
  </synonyms>
  <chemical_formula>HNaO4S</chemical_formula>
  <average_molecular_weight>120.06</average_molecular_weight>
  <monisotopic_moleculate_weight>119.949323885</monisotopic_moleculate_weight>
  <iupac_name>sodium hydrogen sulfate</iupac_name>
  <traditional_iupac>sodium hydrogen sulfate</traditional_iupac>
  <cas_registry_number>7681-38-1</cas_registry_number>
  <smiles>[Na+].OS([O-])(=O)=O</smiles>
  <inchi>InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1</inchi>
  <inchikey>WBHQBSYUUJJSRZ-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as alkali metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkali metal.</description>
    <direct_parent>Alkali metal sulfates</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 sulfates</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 sulfate</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Inorganic sodium salt</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 182°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.84</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>sodium hydrogen sulfate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>120.06</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>119.949323885</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na+].OS([O-])(=O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>HNaO4S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>WBHQBSYUUJJSRZ-UHFFFAOYSA-M</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>77.43</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>12.65</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>6.16</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-2</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>1322656</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1322657</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1322658</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1437025</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1437026</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1437027</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>
