77987 <common-name>Benzenesulfonic acid, 4-[[4-(chloroazo)-5-methoxy-2-methylphenyl]azo]-</common-name> <description>Benzenesulfonic acid, 4-[[4-(chloroazo)-5-methoxy-2-methylphenyl]azo]- belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C14H13Cl1N4O4S1 and an average molecular weight of 368.79 g/mol.</description> <cas>67906-54-1</cas> <pubchem-id>106109</pubchem-id> <chemical-formula>C14H13Cl1N4O4S1</chemical-formula> <weight>368.8</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">2026-04-04T11:20:00Z</created-at> <updated-at type="dateTime">2026-08-28T05:13:19Z</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>COC1=CC(N=NC2=CC=C(C=C2)S(O)(=O)=O)=C(C)C=C1N=NCl</moldb-smiles> <moldb-formula>C14H13Cl1N4O4S1</moldb-formula> <moldb-inchi>InChI=1S/C14H13ClN4O4S/c1-9-7-13(18-19-15)14(23-2)8-12(9)17-16-10-3-5-11(6-4-10)24(20,21)22/h3-8H,1-2H3,(H,20,21,22)/b17-16-,19-18-</moldb-inchi> <moldb-inchikey>AZPGMBMWDRHSAG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">368.79</moldb-average-mass> <moldb-mono-mass type="decimal">368.034603</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>95584</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>CHEM073880</chemdb-id> <dsstox-id>DTXSID3070832</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036279</susdat-id> <iupac>4-[[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonic acid</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>CED0148520</sync-id> <structure-inchikey>AZPGMBMWDRHSAG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2402000000000000000000000000000000000000000000000200000040000400000000000000001000000020001000000000000000080000000000000000000000000000000000000008000000020000020000000000100001004000000000000000000010000000040000000100000000000001000000002000000000000000000000040000000000000000000000000000000000000040000000000000000000000000000000000000008080100000000000200000000088001020000000080000000000100000000000000000000000090000000002000000200000000000000000000000002000040000000000000000000000020000010000000000000</structure-fingerprint> 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