285252 <common-name>Dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane</common-name> <description>Dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane belongs to the thiophosphoric acid esters, a subclass of organic thiophosphoric acids and derivatives within the organic compounds. It has the chemical formula C12H18NO5PS2 and an average molecular weight of 351.40 g/mol.</description> <cas>3078-93-1</cas> <pubchem-id>200997</pubchem-id> <chemical-formula>C12H18NO5PS2</chemical-formula> <weight>351.4</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">2026-08-27T20:57:29Z</created-at> <updated-at type="dateTime">2026-08-27T20:57:29Z</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=CC=C(C=C1)S(=O)(=O)N2CCCC2</moldb-smiles> <moldb-formula>C12H18NO5PS2</moldb-formula> <moldb-inchi>InChI=1S/C12H18NO5PS2/c1-16-19(20,17-2)18-11-5-7-12(8-6-11)21(14,15)13-9-3-4-10-13/h5-8H,3-4,9-10H2,1-2H3</moldb-inchi> <moldb-inchikey>VXNROYLQCMFQJO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">351.036402</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM281145</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>Dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane</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>CED0237081</sync-id> <structure-inchikey>VXNROYLQCMFQJO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40080000000000000000040000000000000000000000080000000000000000000000000000001200000020002020000000000000000000000000000000000000000100000000000400440000000000020000010000100001200000000040000000000800000000040000000000000000000020100000000000000000000000800000050000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000008000088000000000000000000000000000000000000000000000000000000000000040000200000000000000000000000000000040000000000000000000000000000002000000000000</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">2026-09-19T04:59:17Z</structure-indexed-at> </compound>