<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:04:46 UTC</creation_date>
  <update_date>2025-11-18 22:26:15 UTC</update_date>
  <accession>FDB000919</accession>
  <name>Saccharin sodium</name>
  <description>Sweetener</description>
  <synonyms>
    <synonym>1,1-Dioxide-1,2-benzisothiazol-3(2H)-one, sodium salt</synonym>
    <synonym>1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, sodium s alt</synonym>
    <synonym>1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt</synonym>
    <synonym>1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt</synonym>
    <synonym>1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium deriv</synonym>
    <synonym>1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium deriv.</synonym>
    <synonym>1,2-benzisothiazolin-3-one, 1,1-dioxide, sodium salt</synonym>
    <synonym>artificial sweetening substance gendorf 450</synonym>
    <synonym>Benzoic acid sulfimide, sodium</synonym>
    <synonym>Dagutan</synonym>
    <synonym>FEMA 2997</synonym>
    <synonym>O-benzoic sulfimide sodium salt dihydrate</synonym>
    <synonym>O-sulfobenzoic acid imide sodium salt</synonym>
    <synonym>Saccharin - sodium salt</synonym>
    <synonym>Saccharin sodium, anhydrous</synonym>
    <synonym>Saccharin sodium, USAN</synonym>
    <synonym>Saccharin, sodium salt (C7H5NO3S.xNa)</synonym>
    <synonym>Saccharine sodium salt</synonym>
    <synonym>Saccharinnatrium</synonym>
    <synonym>Saccharoidum natricum</synonym>
    <synonym>Sodium 1,2 benzisothiazolin-3-one-1,1-dioxide</synonym>
    <synonym>sodium 1,2-benzisothiasolin-3-one-1,1-dioxide</synonym>
    <synonym>Sodium 1,2-benzisothiazol-3(2H)-one, 1,1-dioxide</synonym>
    <synonym>Sodium 1,2-benzisothiazolin-3-one 1,1-dioxide</synonym>
    <synonym>Sodium 1,2-benzothiazol-3-on-2-ide 1,1-dioxide</synonym>
    <synonym>Sodium 2-benzosulphimide</synonym>
    <synonym>sodium 3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxide</synonym>
    <synonym>Sodium benzosulfimide</synonym>
    <synonym>Sodium benzosulphimide</synonym>
    <synonym>Sodium o-benzosulphimide</synonym>
    <synonym>SODIUM SACCHARIN (SEE ALSO SACCHARIN, CAS 81-07-2)</synonym>
    <synonym>Sodium saccharin, anhydrous</synonym>
    <synonym>Soluble gluside</synonym>
    <synonym>Sucaryl</synonym>
    <synonym>Succaril</synonym>
    <synonym>Sucra</synonym>
    <synonym>Sulfobenzoic imide, sodium salt</synonym>
    <synonym>Sulphobenzoic imide, sodium salt</synonym>
    <synonym>Wil losetten</synonym>
  </synonyms>
  <chemical_formula>C7H5NNaO3S</chemical_formula>
  <average_molecular_weight>206.174</average_molecular_weight>
  <monisotopic_moleculate_weight>205.988783396</monisotopic_moleculate_weight>
  <iupac_name>sodium 2,3-dihydro-1λ⁶,2-benzothiazole-1,1,3-trione</iupac_name>
  <traditional_iupac>sodium saccharine</traditional_iupac>
  <cas_registry_number>128-44-9</cas_registry_number>
  <smiles>[Na+].O=C1NS(=O)(=O)C2=C1C=CC=C2</smiles>
  <inchi>InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1</inchi>
  <inchikey>WINXNKPZLFISPD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).</description>
    <direct_parent>Benzothiazoles</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Benzothiazoles</class>
    <sub_class/>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Carboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic alkali metal salts</alternative_parent>
      <alternative_parent>Organic cations</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Organosulfonic acids and derivatives</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>1,2-benzothiazole</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic alkali metal salt</substituent>
      <substituent>Organic cation</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organic sulfonic acid or derivatives</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Organosulfonic acid or derivatives</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 228.8-229.7°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.45</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.94</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>sodium 2,3-dihydro-1λ⁶,2-benzothiazole-1,1,3-trione</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>206.174</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>205.988783396</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na+].O=C1NS(=O)(=O)C2=C1C=CC=C2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C7H5NNaO3S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>WINXNKPZLFISPD-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>63.24</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>42.39</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>16.02</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>1</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1288813</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1288814</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1288815</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>
    <flavor>
      <name>odorless</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
