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<compound>
  <id type="integer">295179</id>
  <title nil="true"/>
  <common-name>5-[(2-methyl-4,6-dinitro-1h-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione</common-name>
  <description>5-[(2-methyl-4,6-dinitro-1h-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C15H11N7O4S and an average molecular weight of 385.40 g/mol.</description>
  <cas>72766-28-0</cas>
  <pubchem-id>5746276</pubchem-id>
  <chemical-formula>C15H11N7O4S</chemical-formula>
  <weight>385.4</weight>
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  <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"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T11:06:57Z</created-at>
  <updated-at type="dateTime">2026-08-28T11:06:57Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
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  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NC3=CC4=C(C=C3)NC(=S)N4)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C15H11N7O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H11N7O4S/c1-6-16-10-5-11(21(23)24)13(14(22(25)26)12(10)17-6)18-7-2-3-8-9(4-7)20-15(27)19-8/h2-5,18H,1H3,(H,16,17)(H2,19,20,27)</moldb-inchi>
  <moldb-inchikey>TXYWFTVYFDDSSY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">385.059323</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</logp>
  <hmdb-id nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM291072</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-[(2-methyl-4,6-dinitro-1h-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione</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>Organoheterocyclic compounds</superklass>
  <klass>Benzimidazoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0246637</sync-id>
  <structure-inchikey>TXYWFTVYFDDSSY-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:06:36Z</structure-indexed-at>
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