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  <common-name>5-benzylsulfanyl-3-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile</common-name>
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  <pubchem-id>3055439</pubchem-id>
  <chemical-formula>C13H9N3S3</chemical-formula>
  <weight>303.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
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  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
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  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T03:55:41Z</created-at>
  <updated-at type="dateTime">2026-08-28T03:55:41Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
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  <chebi-id nil="true"/>
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  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C1=CC=C(C=C1)CSC2=C(C(=NS2)SCC#N)C#N</moldb-smiles>
  <moldb-formula>C13H9N3S3</moldb-formula>
  <moldb-inchi>InChI=1S/C13H9N3S3/c14-6-7-17-12-11(8-15)13(19-16-12)18-9-10-4-2-1-3-5-10/h1-5H,7,9H2</moldb-inchi>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM286171</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-benzylsulfanyl-3-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organosulfur compounds</superklass>
  <klass>Thioethers</klass>
  <subklass>Aryl thioethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0241916</sync-id>
  <structure-inchikey>FSQYSOCRQPLCCY-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@h�������@h��������`������� �����@(������@(������@(������@(������@(������� ������`�������(�������(�������(�������(��������h���h���h���h���h�����������	h�	
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����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:02:54Z</structure-indexed-at>
</compound>
