5474 <common-name>Paraquat methosulfate</common-name> <description>Paraquat methosulfate belongs to the bipyridines and oligopyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C14H20N2O8S2 and an average molecular weight of 408.44 g/mol.</description> <cas>2074-50-2</cas> <pubchem-id nil="true"/> <chemical-formula>C14H20N2O8S2</chemical-formula> <weight nil="true"/> <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">2016-05-19T01:42:43Z</created-at> <updated-at type="dateTime">2026-04-05T19:02:47Z</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>COS([O-])(=O)=O.COS([O-])(=O)=O.C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1</moldb-smiles> <moldb-formula>C14H20N2O8S2</moldb-formula> <moldb-inchi>InChI=1S/C12H14N2.2CH4O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-5-6(2,3)4/h3-10H,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2</moldb-inchi> <moldb-inchikey>WXJYKXOIFICRPR-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">408.44</moldb-average-mass> <moldb-mono-mass type="decimal">408.06610796</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM004369</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00081785</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>7.76</moldb-polar-surface-area> <moldb-refractivity>59.19120000000001</moldb-refractivity> <moldb-polarizability>22.005032569501353</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>0</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>2</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-2.45</moldb-alogps-logp> <moldb-alogps-logs>-4.32</moldb-alogps-logs> <moldb-alogps-solubility>1.97e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Bipyridines and oligopyridines</subklass> <paper-count type="integer">183</paper-count> <sync-id>CED0015732</sync-id> <structure-inchikey>WXJYKXOIFICRPR-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000100000000000000000000020000000000200000000000000001000000000000000000000000000000000000000000000020000040001100001000000000000000000000000000000040000000000000000000000000000000000000001000108000000040000000000000000000000000800000000000000000000000000000000000040000000000000000080000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000200000000000000000000008000000040000000000000000000000800000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������ ����� "���ÿ���(�������(�������`������� ������ ����� "���ÿ���(�������(�������`������`*�������@h�������@h�������@(������@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">2026-09-19T04:01:56Z</structure-indexed-at> </compound>