<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 05:43:41 UTC</creation_date>
  <update_date>2026-08-24 18:07:26 UTC</update_date>
  <accession/>
  <common_name>Sulfonethylmethane</common_name>
  <class>SmallMolecule</class>
  <description>Sulfonethylmethane is an organosulfur compound with the chemical formula C8H18O4S2 and an average molecular weight of 242.35 g/mol. Sulfonethylmethane belongs to the dithioacetals, a subclass of thioacetals within the organic compounds.

The substance is found in or released from 66 recorded sources across various sectors. Within electrical and electronic equipment, it is associated with amplifiers, antennas, adjustable resistors, auxiliary devices, and coils, among 29 other items. It appears in building and construction materials, including ceilings, floors, roofs, fencing, and ladders, as well as four additional sources. In the category of household cleaning and consumer products, the compound is linked to bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and seven other products. Furthermore, it is identified in household items such as key rings and credit card holders. Sulfonethylmethane is also present in food, food processing, and cookware, specifically in the preparation of malt, fermentation processes for beer, the preparation of vinegar, food preservation, agglomerated sugar products, and four other sources.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C8H18O4S2</chemical_formula>
  <average_molecular_weight>242.35</average_molecular_weight>
  <monisotopic_moleculate_weight>242.064651408</monisotopic_moleculate_weight>
  <iupac_name>2,2-bis(ethanesulfonyl)butane</iupac_name>
  <traditional_iupac>trional</traditional_iupac>
  <cas_registry_number>76-20-0</cas_registry_number>
  <smiles>CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC</smiles>
  <inchi>InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3</inchi>
  <inchikey>LKACJLUUJRMGFK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organosulfur compounds</super_class>
    <class>Thioacetals</class>
    <sub_class>Dithioacetals</sub_class>
    <direct_parent>Dithioketals</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Sulfones</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Dithioketal</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Sulfone</substituent>
      <substituent>Sulfonyl</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.61</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.09</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.98e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.38</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,2-bis(ethanesulfonyl)butane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>242.35</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>242.064651408</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H18O4S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LKACJLUUJRMGFK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>68.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>57.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>24.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726dc8a500&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6433</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6193</chemspider_id>
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  <wikipidia/>
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</compound>
