362907 <common-name>3-pyridin-1-ium-1-ylpropane-1-sulfonic acid</common-name> <description>3-pyridin-1-ium-1-ylpropane-1-sulfonic acid is a chemical compound with the formula C8H12NO3S+ and an average molecular weight of 202.25 g/mol. It has been identified in or released from one recorded source, specifically household items such as watch chains.</description> <cas nil="true"/> <pubchem-id>84930</pubchem-id> <chemical-formula>C8H12NO3S+</chemical-formula> <weight>202.25</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">2026-09-01T12:20:47Z</created-at> <updated-at type="dateTime">2026-09-01T12:20:47Z</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>C1=CC=[N+](C=C1)CCCS(=O)(=O)O</moldb-smiles> <moldb-formula>C8H12NO3S+</moldb-formula> <moldb-inchi>InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2/p+1</moldb-inchi> <moldb-inchikey>REEBJQTUIJTGAL-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">202.0537894</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.2</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>CHEM358800</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>3-pyridin-1-ium-1-ylpropane-1-sulfonic 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>CED0312955</sync-id> <structure-inchikey>REEBJQTUIJTGAL-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>800000000000000000040100000000000000000000000000000000000000008000020000000004000000200000000001000040000000000000000000000000008000000000000020000000000000000001000000000000000000010400000000000000000000000000000000000000000000001000000000000000000000804000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000080000000000000000000000000000000000000000000000008000000000000000080000000000000000000000000000000040000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBB2AqAAAAAQMEBkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAA AgIGAGAAAAACAgYAYAAAAAICEAAgAAAABggAKAAAAAMCCAAoAAAAAwIIAGAA AAABAQsAAWgMAQJoDAIDaAwDBGgMBAVoDAMGAAYHAAcIAAgJAAkKCAIJCwgC CQwABQBoDEIBAAAABgAFBAMCARcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:47Z</structure-indexed-at> </compound>