<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365735</id>
  <title nil="true"/>
  <common-name>N-diethoxyphosphinothioyl-4,5-dimethyl-1,3-dithiolan-2-imine</common-name>
  <description>N-diethoxyphosphinothioyl-4,5-dimethyl-1,3-dithiolan-2-imine is a chemical compound with the formula C9H18NO2PS3. It has an average molecular weight of 299.40 g/mol.</description>
  <cas>5526-11-4</cas>
  <pubchem-id>110663</pubchem-id>
  <chemical-formula>C9H18NO2PS3</chemical-formula>
  <weight>299.4</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">2026-09-01T16:30:47Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:30:47Z</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>CCOP(=S)(N=C1SC(C(S1)C)C)OCC</moldb-smiles>
  <moldb-formula>C9H18NO2PS3</moldb-formula>
  <moldb-inchi>InChI=1S/C9H18NO2PS3/c1-5-11-13(14,12-6-2)10-9-15-7(3)8(4)16-9/h7-8H,5-6H2,1-4H3</moldb-inchi>
  <moldb-inchikey>HIVOJILAZCFUPS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">299.0237293</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</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>CHEM361628</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>N-diethoxyphosphinothioyl-4,5-dimethyl-1,3-dithiolan-2-imine</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>CED0315683</sync-id>
  <structure-inchikey>HIVOJILAZCFUPS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>808040000000000000000000000080000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100010000100000004000000000000000000000002000000000000000000000000000000000000000000400000100000000040000000000000000000000000000000000010000000020000000000000000040000000000000000080004000000000010000100000000000000000000000000000000000000000000000000000000000000080040000000000002000000000000000000000000000000000000000000000000800001000008000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������ ������(�������(�������(������� ������`�������`������� ������`�������`������� ������`�������`���������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:45Z</structure-indexed-at>
</compound>
