89963 <common-name>Sodium 2-[p-[[4-[(p-hydroxyphenyl)azo]-o-tolyl]azo]phenoxy]ethyl sulphate</common-name> <description>Sodium 2-[p-[[4-[(p-hydroxyphenyl)azo]-o-tolyl]azo]phenoxy]ethyl sulphate belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C21H20N4O6S and an average molecular weight of 456.50 g/mol.</description> <cas>54307-21-0</cas> <pubchem-id>161347</pubchem-id> <chemical-formula>C21H20N4O6S</chemical-formula> <weight>456.5</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">2026-04-05T00:01:48Z</created-at> <updated-at type="dateTime">2026-08-30T04:28:08Z</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>CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)O)N=NC3=CC=C(C=C3)OCCOS(=O)(=O)O</moldb-smiles> <moldb-formula>C21H20N4O6S</moldb-formula> <moldb-inchi>InChI=1/C21H20N4O6S.Na/c1-15-14-18(24-22-16-2-7-19(26)8-3-16)6-11-21(15)25-23-17-4-9-20(10-5-17)30-12-13-31-32(27,28)29;/h2-11,14,26H,12-13H2,1H3,(H,27,28,29);/q;+1/p-1</moldb-inchi> <moldb-inchikey>PNNSBILZHIFIEK-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">456.1103554</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM085856</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050957</susdat-id> <iupac>2-[4-[[4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl]diazenyl]phenoxy]ethyl hydrogen sulfate</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>Azobenzenes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0122034</sync-id> <structure-inchikey>UMHKKJXQNFBYPT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>42000000000000000801002000002000000000000000000200000000000000000000000000000200000020000000000000000000040000000400000000800000000000000000000008000000000000020000028000100000204000040000000000000010000000000000000100000000000001000000000000000000000000020400040000000000000000000000400000000000000000000000000000000000000004000000000000008080100000000000000080000080001000000001000000000000100002000000000000000000080000000002000000200000020000000000000000002000040000000000000000000000000000000000000000000</structure-fingerprint> 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