122114 <common-name>1-(1-Methyl-1H-indol-3-yl)thiolan-1-ium nonafluorobutane-1-sulfonate</common-name> <description nil="true"/> <cas>867373-18-0</cas> <pubchem-id>138396347</pubchem-id> <chemical-formula>C17H16F9NO3S2</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">2026-04-06T05:23:08Z</created-at> <updated-at type="dateTime">2026-05-21T03:25:36Z</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>CN1C=C([S+]2CCCC2)C2=CC=CC=C12.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C17H16F9NO3S2</moldb-formula> <moldb-inchi>InChI=1S/C13H16NS.C4HF9O3S/c1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3;(H,14,15,16)/q+1;/p-1</moldb-inchi> <moldb-inchikey>LLZYNMSKUBJCMK-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">517.42</moldb-average-mass> <moldb-mono-mass type="decimal">517.0427894</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>95697484</chemspider-id> <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>CHEM118007</chemdb-id> <dsstox-id>DTXSID10895606</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00109356</susdat-id> <iupac>1-(1-Methyl-1H-indol-3-yl)thiolan-1-ium nonafluorobutane-1-sulfonate</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"/> </compound>