280124 <common-name>N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chloroacetamide</common-name> <description>N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chloroacetamide belongs to the n-phenylthioureas, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C11H10BrCl4N3OS and an average molecular weight of 454.00 g/mol.</description> <cas>406915-48-8</cas> <pubchem-id>5026950</pubchem-id> <chemical-formula>C11H10BrCl4N3OS</chemical-formula> <weight>454</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">2026-08-26T20:09:06Z</created-at> <updated-at type="dateTime">2026-08-26T20:09:06Z</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=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CCl)Br</moldb-smiles> <moldb-formula>C11H10BrCl4N3OS</moldb-formula> <moldb-inchi>InChI=1S/C11H10BrCl4N3OS/c12-6-3-1-2-4-7(6)17-10(21)19-9(11(14,15)16)18-8(20)5-13/h1-4,9H,5H2,(H,18,20)(H2,17,19,21)</moldb-inchi> <moldb-inchikey>BOGKFWIHRWFAOM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">450.84821</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM276017</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>N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chloroacetamide</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>N-phenylthioureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0232162</sync-id> <structure-inchikey>BOGKFWIHRWFAOM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000004000400000800040022400000000000001000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000020001000000000000000800000000000000000110000004000000000000000000000004011000000000000400000000000000000000000800004000000000080000000000100000080000000000000000000080000000000000000080000000800000800000000000000000000000000000000000200000000000500000000000010008000000000000200000000000000008000000000000040000001000400000000000000000000000000000000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:22Z</structure-indexed-at> </compound>