302687 <common-name>5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-3-one</common-name> <description>5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-3-one belongs to the thiophosphoric acid esters, a subclass of organic thiophosphoric acids and derivatives within the organic compounds. It has the formula C16H21N2O5PS and an average molecular weight of 384.40 g/mol. This compound is further classified under the superclass of organic acids and derivatives.</description> <cas>59631-22-0</cas> <pubchem-id>3042366</pubchem-id> <chemical-formula>C16H21N2O5PS</chemical-formula> <weight>384.4</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">2026-08-28T19:46:16Z</created-at> <updated-at type="dateTime">2026-08-28T19:46:16Z</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)(OC1=C(C(=O)N(N=C1)C2=CC=CC=C2)OC)OC(C)C</moldb-smiles> <moldb-formula>C16H21N2O5PS</moldb-formula> <moldb-inchi>InChI=1S/C16H21N2O5PS/c1-5-21-24(25,22-12(2)3)23-14-11-17-18(16(19)15(14)20-4)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3</moldb-inchi> <moldb-inchikey>CFJWGWZIHZMYPN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">384.09088</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM298580</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>5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-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>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>CED0253903</sync-id> <structure-inchikey>CFJWGWZIHZMYPN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000080001000000000800040000000000000000000000080000000000000000000001002000020000400000000002004000000000000000200000000000080000000000000000000000400000000000020800000000100000008000000000000000000000000000040000000000000000000000100000000000000000000000000004040000000800000000000000000000000000118000000060000000000000000000000000000000000090000000000000080000010000000000000000180000000000000010000000000000000000000000100080040000200000000400000000040000828000040000000000000000000020020200000000000000000</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���h� �h���h���h���h���h��� �����������������h�� h�B�������� �������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:03Z</structure-indexed-at> </compound>