310116 <common-name>1-(4-bromophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]ethanone</common-name> <description>1-(4-bromophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]ethanone is a chemical compound with the formula C18H12Br2N2O2S3. With an average molecular weight of 544.30 g/mol, 1-(4-bromophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]ethanone is a heavy molecule.</description> <cas>400864-12-2</cas> <pubchem-id>3621978</pubchem-id> <chemical-formula>C18H12Br2N2O2S3</chemical-formula> <weight>544.3</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">2026-08-29T05:01:58Z</created-at> <updated-at type="dateTime">2026-08-29T05:01:58Z</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>C1=CC(=CC=C1C(=O)CSC2=NSC(=N2)SCC(=O)C3=CC=C(C=C3)Br)Br</moldb-smiles> <moldb-formula>C18H12Br2N2O2S3</moldb-formula> <moldb-inchi>InChI=1S/C18H12Br2N2O2S3/c19-13-5-1-11(2-6-13)15(23)9-25-17-21-18(27-22-17)26-10-16(24)12-3-7-14(20)8-4-12/h1-8H,9-10H2</moldb-inchi> <moldb-inchikey>IZMKGUCDPYAEDZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">541.84277</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.6</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>CHEM306009</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>1-(4-bromophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]ethanone</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261097</sync-id> <structure-inchikey>IZMKGUCDPYAEDZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>810000000820000000000000000000000000000000000000400000000000000004000000002000000000000000000000000000000000200000000000000000000000000000002420000010000000000000800000000000000000010000000000000404000002000400000000000000000000010100000000000000000002000000000000000004000000000000000000000000000000000000000000000000000000084000000000000000000000000000000000000000000000000000000000200100004000000000044000000000000200000000000000000000000001000040000000000400000000010000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@h�������@(�������(�������(�������`������� �����@(������@(������@(������@(������@(������� ������`�������(�������(������@(������@h�������@h�������@(������@h�������@h������#� ����#� �������h���h���h���h���h��� ��(����� � � �h���h�� h� �h� ����������(��� ��h���h���h���h���h���������h�� h���h�B������������� � ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:17:37Z</structure-indexed-at> </compound>