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<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 14:44:51 UTC</creation_date>
  <update_date>2026-09-01 14:44:51 UTC</update_date>
  <accession/>
  <common_name>1-methyl-3-[3-(5-sulfanylidene-2h-tetrazol-1-yl)phenyl]urea</common_name>
  <class>SmallMolecule</class>
  <description>1-methyl-3-[3-(5-sulfanylidene-2h-tetrazol-1-yl)phenyl]urea is a compound with the formula C9H10N6OS. It has an average molecular weight of 250.28 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H10N6OS</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>250.0636801</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>86893-76-7</cas_registry_number>
  <smiles>CNC(=O)NC1=CC(=CC=C1)N2C(=S)N=NN2</smiles>
  <inchi>InChI=1S/C9H10N6OS/c1-10-8(16)11-6-3-2-4-7(5-6)15-9(17)12-13-14-15/h2-5H,1H3,(H2,10,11,16)(H,12,14,17)</inchi>
  <inchikey>ALAVMPYROHSFFR-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>250.0636801</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CNC(=O)NC1=CC(=CC=C1)N2C(=S)N=NN2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H10N6OS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H10N6OS/c1-10-8(16)11-6-3-2-4-7(5-6)15-9(17)12-13-14-15/h2-5H,1H3,(H2,10,11,16)(H,12,14,17)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ALAVMPYROHSFFR-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>13781890</pubchem_compound_id>
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  <biocyc_id/>
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