361144 <common-name>(1-oxidopyridin-1-ium-2-yl)methylsulfanylphosphonic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>56843596</pubchem-id> <chemical-formula>C6H8NO4PS</chemical-formula> <weight>221.17</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">2026-09-01T09:54:22Z</created-at> <updated-at type="dateTime">2026-09-01T09:54:22Z</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>C1=CC=[N+](C(=C1)CSP(=O)(O)O)[O-]</moldb-smiles> <moldb-formula>C6H8NO4PS</moldb-formula> <moldb-inchi>InChI=1S/C6H8NO4PS/c8-7-4-2-1-3-6(7)5-13-12(9,10)11/h1-4H,5H2,(H2,9,10,11)</moldb-inchi> <moldb-inchikey>PSRWGONOFOPRTA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">220.9911659</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.7</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>CHEM357037</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>(1-oxidopyridin-1-ium-2-yl)methylsulfanylphosphonic acid</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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Pyridinium derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0311271</sync-id> <structure-inchikey>PSRWGONOFOPRTA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000080000000000000000000000000000000000000000000000000000000200000000001000002000000000000000000000000000000000000000020000000000000001000000000002000000000010000000000040000400000000000000000000000000000001000000000000000000000800000000000004000000000000100000000000000000000000040002000010000000000080000000000000000000000000000000080800000000000080000000000000800000000000010000000000000000200000000000000000000020000000040000000008000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€��@h�������@h�������@h�������`*�������@(������@h��������`������� ������ ������(�������`�������`������ *���ÿ�����h���h���h���h���h����������� ��� ������ ��h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:32Z</structure-indexed-at> </compound>