<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">281964</id>
  <title nil="true"/>
  <common-name>6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]pyridazin-3-one</common-name>
  <description>6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]pyridazin-3-one belongs to the pyridazines and derivatives, a subclass of diazines within the organic compounds. It is categorized as an organoheterocyclic compound with the formula C11H18ClN2O3PS2 and an average molecular weight of 356.80 g/mol.</description>
  <cas>51356-17-3</cas>
  <pubchem-id>3039871</pubchem-id>
  <chemical-formula>C11H18ClN2O3PS2</chemical-formula>
  <weight>356.8</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">2026-08-27T17:25:34Z</created-at>
  <updated-at type="dateTime">2026-08-27T17:25:34Z</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>CC(C)OP(=S)(OC(C)C)SCN1C(=O)C=CC(=N1)Cl</moldb-smiles>
  <moldb-formula>C11H18ClN2O3PS2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H18ClN2O3PS2/c1-8(2)16-18(19,17-9(3)4)20-7-14-11(15)6-5-10(12)13-14/h5-6,8-9H,7H2,1-4H3</moldb-inchi>
  <moldb-inchikey>LRGQAAOEEHNMKX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.0184995</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM277857</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>6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]pyridazin-3-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>Diazines</klass>
  <subklass>Pyridazines and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0233914</sync-id>
  <structure-inchikey>LRGQAAOEEHNMKX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000008000400008000000000200000000800000000000000000000010002000200000000040000020000000020000000000000000000000000000000000004000000000000000000000200000000001000000000000000000008000000100000000000400000000000000000401000000000000000002000000000000400000000000000000000400000000000000000000000000000000000000000080000000000000000800080000000000100000000000000000000200000000000000000000000000000000000000100000000000400002020000004000000000000000000000400000100000000000000a0000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������ ������(������� ������`�������`�������`������� ������`������@(������@(�������(������@h�������@h�������@(������@(������� �������������������������������	��
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������h��(��h���h���h���h������h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:56:52Z</structure-indexed-at>
</compound>
