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<compound>
  <id type="integer">100193</id>
  <title nil="true"/>
  <common-name>Bis[4-[(5-sulpho-1-naphthyl)azo]naphthalene-1-diazonium] sulphate</common-name>
  <description>Bis[4-[(5-sulpho-1-naphthyl)azo]naphthalene-1-diazonium] sulphate belongs to the 1,1'-azonaphthalenes, a subclass of naphthalenes within the organic compounds. It is classified as a benzenoid with the formula C20H13N4O3S. With an average molecular weight of 874.87 g/mol, Bis[4-[(5-sulpho-1-naphthyl)azo]naphthalene-1-diazonium] sulphate is a heavy molecule.</description>
  <cas>68938-69-2</cas>
  <pubchem-id>111856</pubchem-id>
  <chemical-formula>C20H13N4O3S</chemical-formula>
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  <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">2026-04-05T07:33:04Z</created-at>
  <updated-at type="dateTime">2026-04-05T07:33:04Z</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>[O-]S([O-])(=O)=O.OS(=O)(=O)C1=C2C=CC=C(N=NC3=CC=C([N+]#N)C4=CC=CC=C34)C2=CC=C1.OS(=O)(=O)C1=C2C=CC=C(N=NC3=CC=C([N+]#N)C4=CC=CC=C34)C2=CC=C1</moldb-smiles>
  <moldb-formula>C20H13N4O3S</moldb-formula>
  <moldb-inchi>InChI=1/2C20H12N4O3S.H2O4S/c2*21-22-17-11-12-19(14-6-2-1-5-13(14)17)24-23-18-9-3-8-16-15(18)7-4-10-20(16)28(25,26)27;1-5(2,3)4/h2*1-12H;(H2,1,2,3,4)</moldb-inchi>
  <moldb-inchikey>DRUQSZGIJLBIJU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">874.87</moldb-average-mass>
  <moldb-mono-mass type="decimal">389.0708363</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM096086</chemdb-id>
  <dsstox-id>DTXSID5071882</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00063203</susdat-id>
  <iupac nil="true"/>
  <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>Naphthalenes</klass>
  <subklass>1,1'-azonaphthalenes</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0117405</sync-id>
  <structure-inchikey>DRUQSZGIJLBIJU-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:39:09Z</structure-indexed-at>
</compound>
