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<compound>
  <id type="integer">364328</id>
  <title nil="true"/>
  <common-name>Ethyl 2-(1,1,3-trioxo-[1,3]thiazolo[3,2-b][1,2,4,6]thiatriazin-7-yl)acetate</common-name>
  <description>Ethyl 2-(1,1,3-trioxo-[1,3]thiazolo[3,2-b][1,2,4,6]thiatriazin-7-yl)acetate is a chemical compound with the formula C8H9N3O5S2. It has an average molecular weight of 291.30 g/mol.</description>
  <cas>1335010-72-4</cas>
  <pubchem-id>125508726</pubchem-id>
  <chemical-formula>C8H9N3O5S2</chemical-formula>
  <weight>291.3</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">2026-09-01T14:16:21Z</created-at>
  <updated-at type="dateTime">2026-09-01T14:16:21Z</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>CCOC(=O)CC1=CSC2=NC(=O)NS(=O)(=O)N12</moldb-smiles>
  <moldb-formula>C8H9N3O5S2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H9N3O5S2/c1-2-16-6(12)3-5-4-17-8-9-7(13)10-18(14,15)11(5)8/h4H,2-3H2,1H3,(H,10,13)</moldb-inchi>
  <moldb-inchikey>DPHIXCQYIGVENR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">290.9983627</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM360221</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>Ethyl 2-(1,1,3-trioxo-[1,3]thiazolo[3,2-b][1,2,4,6]thiatriazin-7-yl)acetate</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>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314325</sync-id>
  <structure-inchikey>DPHIXCQYIGVENR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000010800000000000010000800000000000000002000020040000000000002080000000000000000000040000000000000000000000000000000000000000004020000010000100000000000000000000000000010080000000000000000000000000010100000000000000000000000000000040000000000008200000000000000800000000000000020000000000000020000000000000000000082100000010000000000000000000000000000200002000004000100000000000000000000000000000002000000000000000200000000000000000000040000000000400000002000000000000000041004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T06:00:45Z</structure-indexed-at>
</compound>
