9147 <common-name>Dicapthon</common-name> <description nil="true"/> <cas>2463-84-5</cas> <pubchem-id>17168</pubchem-id> <chemical-formula>C8H9ClNO5PS</chemical-formula> <weight>297.65</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">2016-05-19T02:36:24Z</created-at> <updated-at type="dateTime">2026-08-25T04:54:29Z</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=C(Cl)C=C(C=C1)N(=O)=O</moldb-smiles> <moldb-formula>C8H9ClNO5PS</moldb-formula> <moldb-inchi>InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3</moldb-inchi> <moldb-inchikey>OTKXWJHPGBRXCR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">297.65</moldb-average-mass> <moldb-mono-mass type="decimal">296.9627583</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16252</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>CHEM008042</chemdb-id> <dsstox-id>DTXSID0041850</dsstox-id> <toxcast-id>41850</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00099454</susdat-id> <iupac>(2-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane</iupac> <moldb-polar-surface-area>73.51</moldb-polar-surface-area> <moldb-refractivity>67.99680000000001</moldb-refractivity> <moldb-polarizability>24.8414249174209</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</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>3.51</moldb-alogps-logp> <moldb-alogps-logs>-4.62</moldb-alogps-logs> <moldb-alogps-solubility>7.08e-03 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" nil="true"/> <sync-id>CED0009147</sync-id> </compound>