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<compound>
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  <common-name>3-ethyl-6-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1h-[1]benzothiolo[2,3-d]pyrimidin-4-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3076858</pubchem-id>
  <chemical-formula>C13H16N2OS2</chemical-formula>
  <weight>280.4</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"/>
  <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">2026-08-28T00:43:22Z</created-at>
  <updated-at type="dateTime">2026-08-28T00:43:22Z</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>CCN1C(=O)C2=C(NC1=S)SC3=C2CC(CC3)C</moldb-smiles>
  <moldb-formula>C13H16N2OS2</moldb-formula>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type 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>CHEM283893</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-ethyl-6-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1h-[1]benzothiolo[2,3-d]pyrimidin-4-one</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>Thienopyrimidines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0239768</sync-id>
  <structure-inchikey>VCMMRMFKCDYFBW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>242000000000800040000020000000002080000000000008010000000000000002000020000000000040000000000000000000000000000000000080000000000000000000000000000000000020000010000001000000000000000000000000200000000200200000000000000000020100000000000000000000104040000040000004000000200000000800000000000000000000000000000000000000040204000000000000080000000000000000010000000000000000000000000000000000000000000000010000000000000000040000204000000000000040000040000000000000000000000000000800000000008000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>591302100502864480004a440108b0000000940291052240203762438200010c4422a011128000000948510800c0000004204026e08c320100a7e43000a1c94cc5110ca81610540000901040246202040c0005f151a11b32ca040566c02058004c2804070048220064428441d4149001201680308109c00c5518a87002510016004c41094cd883090a070242d82c0008b91c8a92c480968b04208c4828c000a650c310000912c20002000948016c25100ac00000a943084818a0621008c08233800010a404b00b1301a00000141102d1050100100a0450240d0022040a0003001110a9540009028000004411d512a0600810023090c6061e0000902072010842</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@(�������(������@(������@(������@8�������@(�������(������@(������@(������@(�������`�������`�������`�������`�������`��������������h���(���h���h���h���h��	(��
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�h���h����������������h���h����B������������
��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:01:11Z</structure-indexed-at>
</compound>
