46430 <common-name>3-[(1,5-dihydroxy-2-naphthyl)azo]-4-hydroxybenzenesulfonic acid</common-name> <description>3-[(1,5-dihydroxy-2-naphthyl)azo]-4-hydroxybenzenesulfonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C16H12N2O6S and an average molecular weight of 360.34 g/mol. This compound is further classified under the superclass of benzenoids.</description> <cas>25747-07-3</cas> <pubchem-id>5486422</pubchem-id> <chemical-formula>C16H12N2O6S</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">2016-06-03T13:05:43Z</created-at> <updated-at type="dateTime">2026-03-27T01:20:56Z</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=C(NNC2=CC=C3C(=O)C=CC=C3C2=O)C=C(C=C1)S(O)(=O)=O</moldb-smiles> <moldb-formula>C16H12N2O6S</moldb-formula> <moldb-inchi>InChI=1S/C16H12N2O6S/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20/h1-8,17-18,20H,(H,22,23,24)</moldb-inchi> <moldb-inchikey>BNBSEAFANQAPGO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">360.34</moldb-average-mass> <moldb-mono-mass type="decimal">360.041607288</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4588930</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>CHEM045325</chemdb-id> <dsstox-id>DTXSID40948619</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007909</stoff-ident-id> <susdat-id>NS00007211</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>132.8</moldb-polar-surface-area> <moldb-refractivity>105.77769999999997</moldb-refractivity> <moldb-polarizability>34.22018766885998</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>-2.298796968525461</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>6.279257954570096</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.29</moldb-alogps-logp> <moldb-alogps-logs>-3.41</moldb-alogps-logs> <moldb-alogps-solubility>1.40e-01 g/l</moldb-alogps-solubility> <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>CED0116029</sync-id> <structure-inchikey>BNBSEAFANQAPGO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020200000000000000000200000000000000000000000000000000000000000031000000420000000010000000000000000000000000000000000000001000000000008000000020000020000000000000021000000010000000000000010000000000000200100000000000000000000000000000000000000000000002080000000000000000000080010002000080000080000040000000000000000000000000000000080000000000000000000000188000000000008000400000000000002100000000000004000000000000000000000200000000000000000000400000000040000000000000000000000000020000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABCABoAAAAAwEBBkAoAAAA AwQGQCgAAAADBAcAaAAAAAMCAQcAaAAAAAMCAQYAKAAAAAMEBgBoAAAAAwMB BgBoAAAAAwMBBgAoAAAAAwQGACgAAAADBAgAKAAAAAMCBgBoAAAAAwMBBgBo AAAAAwMBBgBoAAAAAwMBBgAoAAAAAwQGACgAAAADBAgAKAAAAAMCBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEQACAAAAAGCABgAAAAAQEI ACgAAAADAggAKAAAAAMCCwABIAECaAwCAyADBAAEBSAFBigCBgcgBwgoAggJ IAkKKAIJCyALDCgCDA0gDQ4oAg4PIA8QKAICEWgMERJoDBITaAwTFGgMEhUA FRYAFRcIAhUYCAIUAWgMDwUgDgggQgMAAAAGARQTEhECBgYHCA4PBQYJCwwN DggXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:30Z</structure-indexed-at> </compound>