<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 11:43:10 UTC</creation_date>
  <update_date>2026-04-13 21:24:26 UTC</update_date>
  <accession/>
  <common_name>Dithiothreitol</common_name>
  <class>SmallMolecule</class>
  <description>Dithiothreitol is an organic compound with the formula C4H10O2S2 and an average molecular weight of 154.24 g/mol. Dithiothreitol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. It is utilized as an industrial reducing agent (PMC4554410).

The compound is associated with seven recorded sources. These include household cleaning and consumer products such as pipe accessories, as well as building and construction materials like ceilings. It is also found in electrical and electronic equipment, specifically radio transmission systems and antennas. Additionally, it is linked to food, food processing, and cookware, including the processing of fish and the preparation of wort and malt. Regarding its biological activity, dithiothreitol has one recorded protein target, which is 6,7-dimethyl-8-ribityllumazine synthase (ribH).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H10O2S2</chemical_formula>
  <average_molecular_weight>154.24</average_molecular_weight>
  <monisotopic_moleculate_weight>154.0122216</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>27565-41-9</cas_registry_number>
  <smiles>O[C@H](CS)[C@H](O)CS</smiles>
  <inchi>InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1</inchi>
  <inchikey>VHJLVAABSRFDPM-QWWZWVQMSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Alcohols and polyols</sub_class>
    <direct_parent>1,2-diols</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkylthiols</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,2-diol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkylthiol</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organosulfur compound</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>1,4-dithiothreitol</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>154.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>154.0122216</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O[C@H](CS)[C@H](O)CS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H10O2S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VHJLVAABSRFDPM-QWWZWVQMSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <drugbank_id>DB02184</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>446094</pubchem_compound_id>
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