<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365413</id>
  <title nil="true"/>
  <common-name>Dimethyl (z)-3-dimethoxyphosphinothioyloxypent-2-enedioate</common-name>
  <description>Dimethyl (z)-3-dimethoxyphosphinothioyloxypent-2-enedioate is a chemical compound with the formula C9H15O7PS. It has an average molecular weight of 298.25 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>6445096</pubchem-id>
  <chemical-formula>C9H15O7PS</chemical-formula>
  <weight>298.25</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">2026-09-01T15:58:50Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:58:50Z</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>COC(=O)CC(=CC(=O)OC)OP(=S)(OC)OC</moldb-smiles>
  <moldb-formula>C9H15O7PS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H15O7PS/c1-12-8(10)5-7(6-9(11)13-2)16-17(18,14-3)15-4/h5H,6H2,1-4H3/b7-5-</moldb-inchi>
  <moldb-inchikey>MOWIMORCENKFPG-ALCCZGGFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">298.027611</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM361306</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>Dimethyl (z)-3-dimethoxyphosphinothioyloxypent-2-enedioate</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>CED0315367</sync-id>
  <structure-inchikey>MOWIMORCENKFPG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800040000000000000000000000090000404000000000500000000000000000000000000000800000000000000000000000000000000000000000000000000000440000000000022000010002300000000000000000000000000010000000040000000000000000000000000000000000000000000000000000040004000000000008080000080000000000000000000020000000000000000000000000000000001002000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������(�������h��������(�������(�������(�������`�������(������� ������(������� ������`������� ������`����������� ��(���������(��� ��(��	 	
��� ������������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:29Z</structure-indexed-at>
</compound>
