<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46860</id>
  <title nil="true"/>
  <common-name>6-Bromo-2-benzothiazolinone</common-name>
  <description nil="true"/>
  <cas>62266-82-4</cas>
  <pubchem-id>188444</pubchem-id>
  <chemical-formula>C7H4BrNOS</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">2016-06-03T13:39:27Z</created-at>
  <updated-at type="dateTime">2026-03-26T23:31:32Z</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>OC1=NC2=C(S1)C=C(Br)C=C2</moldb-smiles>
  <moldb-formula>C7H4BrNOS</moldb-formula>
  <moldb-inchi>InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)</moldb-inchi>
  <moldb-inchikey>HECJMTPEVWQFCY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">230.08</moldb-average-mass>
  <moldb-mono-mass type="decimal">228.919698</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>163781</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>CHEM045755</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>BfG,Schüsener 2015</stoff-ident-origin>
  <stoff-ident-id>SI00008923</stoff-ident-id>
  <susdat-id>NS00005519</susdat-id>
  <iupac>6-bromo-1,3-benzothiazol-2-ol</iupac>
</compound>
