92370 <common-name>2-Methyl-1-(3-sulphonatopropyl)pyridinium</common-name> <description>2-Methyl-1-(3-sulphonatopropyl)pyridinium belongs to the methylpyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C9H14NO3S and an average molecular weight of 215.27 g/mol.</description> <cas nil="true"/> <pubchem-id>91841</pubchem-id> <chemical-formula>C9H14NO3S</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">2026-04-05T01:27:27Z</created-at> <updated-at type="dateTime">2026-04-05T01:27:27Z</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>CC1=CC=CC=[N+]1CCCS([O-])(=O)=O</moldb-smiles> <moldb-formula>C9H14NO3S</moldb-formula> <moldb-inchi>InChI=1/C9H13NO3S/c1-9-5-2-3-6-10(9)7-4-8-14(11,12)13/h2-3,5-6H,4,7-8H2,1H3</moldb-inchi> <moldb-inchikey>MTCXCYYDFLRQJM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">215.27</moldb-average-mass> <moldb-mono-mass type="decimal">216.0694393</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>CHEM088263</chemdb-id> <dsstox-id>DTXSID50204975</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053781</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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Methylpyridines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0170834</sync-id> <structure-inchikey>MTCXCYYDFLRQJM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000800000000000000000000000000000000000000000000000000000000000000004020000000000000000200004000001000040000000000000000000000100000000000002000020000000000000001001000000000000000000000000000000000000000000000000000000080400000000001000000000000048000000800000000000000000000000008100000000000000000000000000040000000000000000080000000000000000000000080000000000000000000000000000000000000000000000000000000000002000080200000000000000000000000000000040000000010000000000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQdgKgAAAAED BAYAYAAAAAICBgBgAAAAAgIGAGAAAAACAhAAIAAAAAYIICIAAAD/AQgAKAAA AAMCCAAoAAAAAwILAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwGBwAHCAAICQAJ CgAKCwAKDAgCCg0IAgYBaAxCAQAAAAYBBgUEAwIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:28Z</structure-indexed-at> </compound>