<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 12:59:14 UTC</creation_date>
  <update_date>2026-08-22 13:31:20 UTC</update_date>
  <accession/>
  <common_name>ethyl-sulfanylmethanethioate</common_name>
  <class>SmallMolecule</class>
  <description>Ethyl-sulfanylmethanethioate is an organic compound with the formula C3H6OS2 and an average molecular weight of 122.20 g/mol. Ethyl-sulfanylmethanethioate belongs to the organosulfur compounds, a superclass within the organic compounds.

The compound is found in or released from 29 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with antennas, coils, communication cables or conductors, cores yokes or armatures, and conductors or conductive bodies characterised by the conductive materials, among eight other sources. In the category of household cleaning and consumer products, it is linked to bleaching agents, cigar cigarettes, devices for igniting matches, other smoking requisites, and perfumes within detergents and soaps, as well as five additional sources. Regarding building and construction, the compound is found in ceilings and sunshades awnings or outside screens. Furthermore, ethyl-sulfanylmethanethioate is released from sources related to food, food processing, and cookware, specifically including food preservation, processing meats, and fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C3H6OS2</chemical_formula>
  <average_molecular_weight>122.2</average_molecular_weight>
  <monisotopic_moleculate_weight>121.986007161</monisotopic_moleculate_weight>
  <iupac_name>ethyl sulfanylmethanethioate</iupac_name>
  <traditional_iupac>ethyl sulfanylmethanethioate</traditional_iupac>
  <cas_registry_number>151-01-9</cas_registry_number>
  <smiles>CCOC(S)=S</smiles>
  <inchi>InChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)</inchi>
  <inchikey>ZOOODBUHSVUZEM-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organosulfur compounds</super_class>
    <class/>
    <sub_class/>
    <direct_parent>Organosulfur compounds</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organosulfur compound</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>1.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.22</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.53</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.58e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>1.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>ethyl sulfanylmethanethioate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>122.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>121.986007161</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOC(S)=S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C3H6OS2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZOOODBUHSVUZEM-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>9.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>33.42</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>12.17</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</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>0</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/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222391408&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8823</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>8492</chemspider_id>
  <kegg_id/>
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</compound>
