<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-21 16:02:22 UTC</creation_date>
  <update_date>2026-09-21 16:02:22 UTC</update_date>
  <accession>FDB116696</accession>
  <name>2-Hydroxyethyl disulfide</name>
  <description/>
  <synonyms>
    <synonym>2-(2-hydroxyethyldisulfanyl)ethanol</synonym>
  </synonyms>
  <chemical_formula>C4H10O2S2</chemical_formula>
  <average_molecular_weight>154.251</average_molecular_weight>
  <monisotopic_moleculate_weight>154.012220944</monisotopic_moleculate_weight>
  <iupac_name>2-[(2-hydroxyethyl)disulfanyl]ethan-1-ol</iupac_name>
  <traditional_iupac>2-hydroxyethyl disulfide</traditional_iupac>
  <cas_registry_number/>
  <smiles>OCCSSCCO</smiles>
  <inchi>InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2</inchi>
  <inchikey>KYNFOMQIXZUKRK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups.</description>
    <direct_parent>Dialkyldisulfides</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organosulfur compounds</super_class>
    <class>Organic disulfides</class>
    <sub_class>Dialkyldisulfides</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
      <alternative_parent>Sulfenyl compounds</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Dialkyldisulfide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Primary alcohol</substituent>
      <substituent>Sulfenyl compound</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>a small molecule</external_descriptor>
      <external_descriptor>organic disulfide</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.03</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.63</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.65e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.54</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>15.14</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-2.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2-[(2-hydroxyethyl)disulfanyl]ethan-1-ol</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>154.251</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>154.012220944</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>OCCSSCCO</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C4H10O2S2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>KYNFOMQIXZUKRK-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>40.46</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>39.9</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>15.96</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>2</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>
  <pathways>
  </pathways>
  <spectra>
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      <type>Specdb::CMs</type>
      <spectrum_id>113253</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
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      <type>Specdb::CMs</type>
      <spectrum_id>814084</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>814086</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>814087</spectrum_id>
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      <type>Specdb::NmrOneD</type>
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      <type>Specdb::MsMs</type>
      <spectrum_id>78123</spectrum_id>
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      <spectrum_id>3399518</spectrum_id>
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      <type>Specdb::MsMs</type>
      <spectrum_id>3399519</spectrum_id>
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  </spectra>
  <hmdb_id/>
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  <vmh_id/>
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  <foodb_id/>
  <general_references>
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  <foods>
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  <flavors>
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  <enzymes>
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  <health_effects>
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</compound>
