<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5492</id>
  <title nil="true"/>
  <common-name>Cyanophos</common-name>
  <description nil="true"/>
  <cas>2636-26-2</cas>
  <pubchem-id>17522</pubchem-id>
  <chemical-formula>C9H10NO3PS</chemical-formula>
  <weight>243.22</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">2016-05-19T01:43:19Z</created-at>
  <updated-at type="dateTime">2026-08-25T07:49:43Z</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>COP(=S)(OC)OC1=CC=C(C=C1)C#N</moldb-smiles>
  <moldb-formula>C9H10NO3PS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3</moldb-inchi>
  <moldb-inchikey>SCKHCCSZFPSHGR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">243.22</moldb-average-mass>
  <moldb-mono-mass type="decimal">243.011901358</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>16569</chemspider-id>
  <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>CHEM004387</chemdb-id>
  <dsstox-id>DTXSID0041806</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001260</susdat-id>
  <iupac>4-dimethoxyphosphinothioyloxybenzonitrile</iupac>
  <moldb-polar-surface-area>51.480000000000004</moldb-polar-surface-area>
  <moldb-refractivity>61.58890000000001</moldb-refractivity>
  <moldb-polarizability>22.33995733801085</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.86</moldb-alogps-logp>
  <moldb-alogps-logs>-3.02</moldb-alogps-logs>
  <moldb-alogps-solubility>2.31e-01 g/l</moldb-alogps-solubility>
  <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">65</paper-count>
  <sync-id>CED0021757</sync-id>
  <structure-inchikey>SCKHCCSZFPSHGR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40080200000000000000042000000000000000000000080000000000000000000000000004000200000000000000000000000000000000000000000000000000000000000000000000440000000000000000030000100000200000000000000000200000000000040000000000000000000000000000000000000000000000000000050000000000000000000800000000000000000000000000000000000000000000000000000000000088000000000000000008000000000000000000000000000000000000000000000000000000000000000000040000200000000000000000000000000000040000000000000000000200000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������ ������(������� ������`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(��������������������������� ��h��	h�	
h�
�h���h�
 �(���h�B��������
	�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:56Z</structure-indexed-at>
</compound>
