<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 17:37:56 UTC</creation_date>
  <update_date>2026-08-25 22:10:50 UTC</update_date>
  <accession/>
  <common_name>((Phenylthioxomethyl)thio)acetic acid</common_name>
  <class>SmallMolecule</class>
  <description>((Phenylthioxomethyl)thio)acetic acid belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C9H8O2S2 and an average molecular weight of 212.28 g/mol.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>((Phenylthioxomethyl)thio)acetic acid</synonym>
    <synonym>(Benzenecarbothioylsulfanyl)acetic acid</synonym>
    <synonym>(Benzothioylsulfanyl)acetic acid</synonym>
    <synonym>(Phenylcarbonothioyl)thio acetic acid</synonym>
    <synonym>(Thiobenzoylthio)acetic acid</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>2-((Phenylcarbonothioyl)thio)acetic acid</synonym>
    <synonym>2-(benzenecarbonothioylsulfanyl)acetic acid</synonym>
    <synonym>2-(benzenecarbothioylsulfanyl)acetic acid</synonym>
    <synonym>2-(benzothioylthio)acetic acid</synonym>
    <synonym>2-(benzothioylthio)aceticacid</synonym>
    <synonym>2-(phenylthioxomethylthio)acetic acid</synonym>
    <synonym>2758942</synonym>
    <synonym>Acetic acid, 2-[(phenylthioxomethyl)thio]-</synonym>
    <synonym>Acetic acid, [ (phenylthioxomethyl)thio]-</synonym>
    <synonym>Acetic acid, [(phenylthioxomethyl)thio]-</synonym>
    <synonym>Benzoic acid, dithio-, carboxymethyl ester</synonym>
    <synonym>Benzoic acid, dithio-, ester with mercaptoacetic acid</synonym>
    <synonym>Carboxymethyl dithiobenzoate</synonym>
    <synonym>Dithiobenzoic acid carboxymethyl ester</synonym>
    <synonym>S-(Thiobenzoyl)thioglycolic Acid</synonym>
    <synonym>S-(Thiobenzoyl)thioglycolicacid</synonym>
    <synonym>S-Thiobenzoylthioglycolic acid</synonym>
    <synonym>sodium 3,5-bis[2-hydroxyethoxy(oxo)methyl]benzenesulfonate</synonym>
    <synonym>Thiobenzoyl thioglycolate</synonym>
    <synonym>Thiobenzoylmercaptoacetic acid</synonym>
    <synonym>Thiobenzoylsulfanyl-acetic acid</synonym>
    <synonym>Thiobenzoylsulfanylacetic acid</synonym>
    <synonym>Thiobenzoylthioacetic acid</synonym>
    <synonym>Thiobenzoylthioglycolic acid</synonym>
    <synonym>[(Phenylcarbonothioyl)sulfanyl]acetic acid</synonym>
    <synonym>[(Phenylcarbonothioyl)thio]acetic acid</synonym>
    <synonym>[(phenylcarbothioyl)sulfanyl]acetic acid</synonym>
    <synonym>[(phenylthioxomethyl)thio]acetic acid</synonym>
    <synonym>[942-91-6]</synonym>
  </synonyms>
  <chemical_formula>C9H8O2S2</chemical_formula>
  <average_molecular_weight>212.28</average_molecular_weight>
  <monisotopic_moleculate_weight>211.996571</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>942-91-6</cas_registry_number>
  <smiles>OC(=O)CSC(=S)C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)</inchi>
  <inchikey>XBEIANFIOZTEDE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>2.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>212.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>211.996571</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)CSC(=S)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H8O2S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XBEIANFIOZTEDE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7255bdb5e0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>70336</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>63517</chemspider_id>
  <kegg_id/>
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  <general_references/>
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</compound>
