<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 22:35:02 UTC</creation_date>
  <update_date>2026-08-18 23:14:15 UTC</update_date>
  <accession/>
  <common_name>[Methylenebis(sulphonyl)]bisbenzene</common_name>
  <class>SmallMolecule</class>
  <description>[Methylenebis(sulphonyl)]bisbenzene belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This compound has the chemical formula C13H12O4S2 and an average molecular weight of 296.36 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C13H12O4S2</chemical_formula>
  <average_molecular_weight>296.36</average_molecular_weight>
  <monisotopic_moleculate_weight>296.0177009</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3406-02-8</cas_registry_number>
  <smiles>O=S(=O)(CS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1</smiles>
  <inchi>InChI=1/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2</inchi>
  <inchikey>QCHNSJNRFSOCLJ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>296.36</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>296.0177009</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=S(=O)(CS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H12O4S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QCHNSJNRFSOCLJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>76948</pubchem_compound_id>
  <chembl_id/>
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