<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">114691</id>
  <title nil="true"/>
  <common-name>Benzenesulfonic acid, 2,4,5-trichloro-, potassium salt</common-name>
  <description>Benzenesulfonic acid, 2,4,5-trichloro-, potassium salt belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C6H2Cl3KO3S and an average molecular weight of 299.60 g/mol.</description>
  <cas>62625-17-6</cas>
  <pubchem-id>23692292</pubchem-id>
  <chemical-formula>C6H2Cl3KO3S</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">2026-04-05T22:09:25Z</created-at>
  <updated-at type="dateTime">2026-04-05T22:09:25Z</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>[K+].[O-]S(=O)(=O)C1=C(Cl)C=C(Cl)C(Cl)=C1</moldb-smiles>
  <moldb-formula>C6H2Cl3KO3S</moldb-formula>
  <moldb-inchi>InChI=1/C6H3Cl3O3S.K/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h1-2H,(H,10,11,12);/q;+1/p-1</moldb-inchi>
  <moldb-inchikey>DRPLRPSXUUSFOB-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">299.601</moldb-average-mass>
  <moldb-mono-mass type="decimal">297.8427296</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>101173</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>CHEM110584</chemdb-id>
  <dsstox-id>DTXSID0069593</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00088004</susdat-id>
  <iupac>potassium 2,4,5-trichlorobenzenesulfonate</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>Benzenesulfonic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0073092</sync-id>
  <structure-inchikey>DRPLRPSXUUSFOB-UHFFFAOYSA-M</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000020002000000800000000000000000000000000000000000000000400000000000000000000020000000000000001000000000000000000000000000100000000000100000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000002000080000800000000000000000080000000000000000002000000000800000000000000000000010000000000000000000000000000000000000000000000050000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€�� 
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  <structure-indexed-at type="dateTime">2026-09-19T04:43:48Z</structure-indexed-at>
</compound>
