9272 <common-name>Cadusafos</common-name> <description nil="true"/> <cas>95465-99-9</cas> <pubchem-id>91752</pubchem-id> <chemical-formula>C14H18ClN2O3PS</chemical-formula> <weight>270.4</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">2016-05-19T02:39:55Z</created-at> <updated-at type="dateTime">2026-08-18T03:24:01Z</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>CCCSP(=O)(OCC)OC1=CN(N=C1)C1=CC=C(Cl)C=C1</moldb-smiles> <moldb-formula>C14H18ClN2O3PS</moldb-formula> <moldb-inchi>InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3</moldb-inchi> <moldb-inchikey>QHGVXILFMXYDRS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">360.79</moldb-average-mass> <moldb-mono-mass type="decimal">360.0464283</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82850</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>CHEM008167</chemdb-id> <dsstox-id>DTXSID7037505</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000102</susdat-id> <iupac>2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane</iupac> <moldb-polar-surface-area>53.35000000000001</moldb-polar-surface-area> <moldb-refractivity>91.56299999999999</moldb-refractivity> <moldb-polarizability>36.01759892155593</moldb-polarizability> <moldb-rotatable-bond-count>8</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>0.6444486053054639</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.85</moldb-alogps-logp> <moldb-alogps-logs>-3.63</moldb-alogps-logs> <moldb-alogps-solubility>8.39e-02 g/l</moldb-alogps-solubility> </compound>