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<compound>
  <id type="integer">286349</id>
  <title nil="true"/>
  <common-name>3-(1,3-benzodioxol-5-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid</common-name>
  <description>3-(1,3-benzodioxol-5-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C12H8N4O4S and an average molecular weight of 304.28 g/mol.</description>
  <cas>126598-35-4</cas>
  <pubchem-id>3079876</pubchem-id>
  <chemical-formula>C12H8N4O4S</chemical-formula>
  <weight>304.28</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"/>
  <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">2026-08-27T22:28:00Z</created-at>
  <updated-at type="dateTime">2026-08-27T22:28:00Z</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"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <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>C1C(=NN2C(=NN=C2S1)C3=CC4=C(C=C3)OCO4)C(=O)O</moldb-smiles>
  <moldb-formula>C12H8N4O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C12H8N4O4S/c17-11(18)7-4-21-12-14-13-10(16(12)15-7)6-1-2-8-9(3-6)20-5-19-8/h1-3H,4-5H2,(H,17,18)</moldb-inchi>
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  <moldb-mono-mass type="decimal">304.0266259</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-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>CHEM282242</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>3-(1,3-benzodioxol-5-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid</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>Benzodioxoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0238155</sync-id>
  <structure-inchikey>HSGWEACLBOMRLA-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:00:00Z</structure-indexed-at>
</compound>
