<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320358</id>
  <title nil="true"/>
  <common-name>1-phenothiazin-10-yl-2-(2,4,6-tribromophenoxy)ethanone</common-name>
  <description>1-phenothiazin-10-yl-2-(2,4,6-tribromophenoxy)ethanone is a compound with the chemical formula C20H12Br3NO2S. With an average molecular weight of 570.10 g/mol, 1-phenothiazin-10-yl-2-(2,4,6-tribromophenoxy)ethanone is a heavy molecule.</description>
  <cas>136776-26-6</cas>
  <pubchem-id>3078038</pubchem-id>
  <chemical-formula>C20H12Br3NO2S</chemical-formula>
  <weight>570.1</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">2026-08-29T19:13:46Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:13:46Z</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=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC4=C(C=C(C=C4Br)Br)Br</moldb-smiles>
  <moldb-formula>C20H12Br3NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C20H12Br3NO2S/c21-12-9-13(22)20(14(23)10-12)26-11-19(25)24-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)24/h1-10H,11H2</moldb-inchi>
  <moldb-inchikey>USEVHDSTHVJRQX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">566.81389</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM316251</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-phenothiazin-10-yl-2-(2,4,6-tribromophenoxy)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>Organoheterocyclic compounds</superklass>
  <klass>Benzothiazines</klass>
  <subklass>Phenothiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0271106</sync-id>
  <structure-inchikey>USEVHDSTHVJRQX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000800000000000000000000000000000000000000000020000000000000000000400000000000000040000000000000004000000000000000000000000000000000000000000000020000010000100000000800000000000000000010000004004000000100000000404000100040000000000000040000000000000000000800000000000000000000000000100000000000000000000000100400000000000000000080000000000001000080000400000000000000000000000000040000000000100010000000010000000000000000200000000000080000000000000000040000000000400080000000000000000080000000008</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�	
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��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:25:33Z</structure-indexed-at>
</compound>
