100237 <common-name>1-(Benzyl)-3-sulphonatopyridinium</common-name> <description>1-(Benzyl)-3-sulphonatopyridinium belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This compound has the formula C12H12NO3S and an average molecular weight of 249.28 g/mol.</description> <cas>69723-94-0</cas> <pubchem-id>3085413</pubchem-id> <chemical-formula>C12H12NO3S</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">2026-04-05T07:35:58Z</created-at> <updated-at type="dateTime">2026-04-05T07:35:58Z</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>[O-]S(=O)(=O)C1=CC=C[N+](CC2=CC=CC=C2)=C1</moldb-smiles> <moldb-formula>C12H12NO3S</moldb-formula> <moldb-inchi>InChI=1/C12H11NO3S/c14-17(15,16)12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2</moldb-inchi> <moldb-inchikey>BUHVHBJRTMUDGJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">249.28</moldb-average-mass> <moldb-mono-mass type="decimal">250.0537892</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>CHEM096130</chemdb-id> <dsstox-id>DTXSID3022299</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063252</susdat-id> <iupac nil="true"/> <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 sulfonic acids and derivatives</klass> <subklass>Organosulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0138201</sync-id> <structure-inchikey>BUHVHBJRTMUDGJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000100000000000000000000000000000000001008040020000000004000000000000000001000000000000000000000000000100000008000000000020000000000000001000000000000000000000000400100000000000000000000000000000000000000000001000000000000002200000800000000000000000000002000100000000000000000000000000040000000000000000080000000000000000000000080000000000000000000000000000000000000000000000000002000000000000000220000000000000000000000000000040000000000008000000000400000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABCCAiAAAA/wEQACAAAAAG CAAoAAAAAwIIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBB2AqAAAAAQMEBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQAB AggCAQMIAgEEAAQFaAwFBmgMBgdoDAcIaAwICQAJCgAKC2gMCwxoDAwNaAwN DmgMDg9oDAgQaAwQBGgMDwpoDEICAAAABgQQCAcGBQYLDA0ODwoXBAAAAAAA AAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:10Z</structure-indexed-at> </compound>