91727 <common-name>Ammonium indan-5-sulphonate</common-name> <description>Ammonium indan-5-sulphonate belongs to the indanes, a class of benzenoids within the organic compounds. It has the chemical formula C9H10O3S and an average molecular weight of 215.27 g/mol.</description> <cas nil="true"/> <pubchem-id>414685</pubchem-id> <chemical-formula>C9H10O3S</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">2026-04-05T01:01:12Z</created-at> <updated-at type="dateTime">2026-04-05T01:01:12Z</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>N.OS(=O)(=O)C1=CC=C2CCCC2=C1</moldb-smiles> <moldb-formula>C9H10O3S</moldb-formula> <moldb-inchi>InChI=1/C9H10O3S.H3N/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9;/h4-6H,1-3H2,(H,10,11,12);1H3</moldb-inchi> <moldb-inchikey>BLEBUTRVOMKFAE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">215.27</moldb-average-mass> <moldb-mono-mass type="decimal">198.0350652</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>CHEM087620</chemdb-id> <dsstox-id>DTXSID10985197</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053042</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>Benzenoids</superklass> <klass>Indanes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0108797</sync-id> <structure-inchikey>BLEBUTRVOMKFAE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000001000000020000000000000000000000000000000000000000000000000008000000008000000020000020000000000000001000000000000000000000010000000000000000100008000000022000000000000000000000000800000000000000000000000000000000000000000000000000080000000000000000000001000000000000080000000000000000000000098000000000008000000000000000000000000000000000000000000000000000200200000000000000000000000000000040000000000000000000000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBwBAAAAAAwgAYAAAAAEB EAAgAAAABggAKAAAAAMCCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAA AAMDAQZAKAAAAAMEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBkAoAAAAAwQG QGgAAAADAwELAQIAAgMIAgIECAICBQAFBmgMBgdoDAcIaAwICQAJCgAKCwAL DAAMDWgMDQVoDAwIaAxCAgAAAAYFDQwIBwYFCQgMCwoXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:03Z</structure-indexed-at> </compound>