15871 <common-name>4,4-Bis[(.gamma.-.omega.-perfluoro-C8-20-alkyl)thio]valeric acid diethanolamine salt</common-name> <description nil="true"/> <cas>71608-61-2</cas> <pubchem-id>472205404</pubchem-id> <chemical-formula>C24H25F26NO2S2</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">2016-05-19T04:35:35Z</created-at> <updated-at type="dateTime">2026-03-27T01:12:12Z</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>CC(CCN(CCO)CCO)(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C24H25F26NO2S2</moldb-formula> <moldb-inchi>InChI=1S/C24H25F26NO2S2/c1-12(2-5-51(6-8-52)7-9-53,54-10-3-13(25,26)15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)47)55-11-4-14(27,28)16(31,32)18(35,36)20(39,40)22(43,44)24(48,49)50/h52-53H,2-11H2,1H3</moldb-inchi> <moldb-inchikey>PQSVAZSOMXXRKK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">917.55</moldb-average-mass> <moldb-mono-mass type="decimal">917.091153635</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>CHEM014766</chemdb-id> <dsstox-id>DTXSID50883062</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id>SI00005150</stoff-ident-id> <susdat-id>NS00006988</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>43.7</moldb-polar-surface-area> <moldb-refractivity>137.50670000000008</moldb-refractivity> <moldb-polarizability>59.46616089421616</moldb-polarizability> <moldb-rotatable-bond-count>25</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>15.292037273078677</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.70803794480191</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.54</moldb-alogps-logp> <moldb-alogps-logs>-4.44</moldb-alogps-logs> <moldb-alogps-solubility>3.35e-02 g/l</moldb-alogps-solubility> </compound>