<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365276</id>
  <title nil="true"/>
  <common-name>4-dimethoxyphosphinothioyloxy-1,6-dimethylpyridin-2-one</common-name>
  <description>4-dimethoxyphosphinothioyloxy-1,6-dimethylpyridin-2-one is a chemical compound with the formula C9H14NO4PS. It has an average molecular weight of 263.25 g/mol.</description>
  <cas>21409-76-7</cas>
  <pubchem-id>161356</pubchem-id>
  <chemical-formula>C9H14NO4PS</chemical-formula>
  <weight>263.25</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">2026-09-01T15:47:04Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:47:04Z</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>CC1=CC(=CC(=O)N1C)OP(=S)(OC)OC</moldb-smiles>
  <moldb-formula>C9H14NO4PS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14NO4PS/c1-7-5-8(6-9(11)10(7)2)14-15(16,12-3)13-4/h5-6H,1-4H3</moldb-inchi>
  <moldb-inchikey>FLPJISDBJCTMBC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">263.0381161</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM361169</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>4-dimethoxyphosphinothioyloxy-1,6-dimethylpyridin-2-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>Organic acids and derivatives</superklass>
  <klass>Organic thiophosphoric acids and derivatives</klass>
  <subklass>Thiophosphoric acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315232</sync-id>
  <structure-inchikey>FLPJISDBJCTMBC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40080000000000000000040000000000000000000000080000000000000000000000000040020200000000000000000000000000000000000000000000000000000000000080000000440000000000020400010000100000000000000000000000000000000000040000000101000000000000100000000000000000000000020000050000000000000000000044000000000000000004000000000000000000000000000000000000000080000000000000000000000000000000400000000000000000000000000020000000000000000000000002040000000000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@h�������@(�������(������@(�������`�������(������� ������(������� ������`������� ������`�����������h���h���h���h���(���h�����	 	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:23Z</structure-indexed-at>
</compound>
