9349 <common-name>Thifluzamide</common-name> <description nil="true"/> <cas>130000-40-7</cas> <pubchem-id>86389</pubchem-id> <chemical-formula>C13H6Br2F6N2O2S</chemical-formula> <weight>528.06</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">2016-05-19T02:41:42Z</created-at> <updated-at type="dateTime">2026-08-19T03:10:14Z</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>CC1=NC(=C(S1)C(O)=NC1=C(Br)C=C(OC(F)(F)F)C=C1Br)C(F)(F)F</moldb-smiles> <moldb-formula>C13H6Br2F6N2O2S</moldb-formula> <moldb-inchi>InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)</moldb-inchi> <moldb-inchikey>WOSNCVAPUOFXEH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">528.06</moldb-average-mass> <moldb-mono-mass type="decimal">525.842094</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77907</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>CHEM008244</chemdb-id> <dsstox-id>DTXSID6057954</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015419</susdat-id> <iupac>N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide</iupac> <moldb-polar-surface-area>54.71000000000001</moldb-polar-surface-area> <moldb-refractivity>85.69740000000002</moldb-refractivity> <moldb-polarizability>34.95338426121851</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-0.9000465239839412</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.193518848294679</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>5.17</moldb-alogps-logp> <moldb-alogps-logs>-5.75</moldb-alogps-logs> <moldb-alogps-solubility>9.30e-04 g/l</moldb-alogps-solubility> </compound>