312107 <common-name>[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfinyl)-2-hydroxypropyl]-trimethylazanium</common-name> <description>[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfinyl)-2-hydroxypropyl]-trimethylazanium is a chemical compound with the formula C18H19F21NO2S+. With an average molecular weight of 712.40 g/mol, [3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfinyl)-2-hydroxypropyl]-trimethylazanium is a heavy molecule.</description> <cas>1513864-17-9</cas> <pubchem-id>138394418</pubchem-id> <chemical-formula>C18H19F21NO2S+</chemical-formula> <weight>712.4</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">2026-08-29T08:25:54Z</created-at> <updated-at type="dateTime">2026-08-29T08:25:54Z</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>C[N+](C)(C)CC(CS(=O)CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O</moldb-smiles> <moldb-formula>C18H19F21NO2S+</moldb-formula> <moldb-inchi>InChI=1S/C18H19F21NO2S/c1-40(2,3)6-8(41)7-43(42)5-4-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,41H,4-7H2,1-3H3/q+1</moldb-inchi> <moldb-inchikey>QWJSEIPPFTYHTB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">712.0801164</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.2</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>CHEM308000</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-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfinyl)-2-hydroxypropyl]-trimethylazanium</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Quaternary ammonium salts</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263047</sync-id> <structure-inchikey>QWJSEIPPFTYHTB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000100000800000002000000000000000000000000000100200000001000000000001000000000000000010000002001000000020000000000000000000000000000000000000000008000020080000000000000000000000000000000000010000000000000000000200000008000000000000080800000000000000000840000000000000000000000000000200000001000000000000414000000000080000000000000000000002000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000001800000000000000000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������+���*���€���`������ "�������`�������`�������`�������`�������`������� ������(�������`�������`������� ������ ������ ������ ������ ������ ������ ������ ������ ������ ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ���� � ������`�������������������������������� � � ������ � ������������������������������������������������������ ��!��"��#� $� %��&��'��(��)��*�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:06Z</structure-indexed-at> </compound>