290916 <common-name>2-methoxy-5-methyl-4-[(3-sulfophenyl)diazenyl]benzenediazonium</common-name> <description>2-methoxy-5-methyl-4-[(3-sulfophenyl)diazenyl]benzenediazonium belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C14H13N4O4S+ and an average molecular weight of 333.34 g/mol. This compound is further classified as part of the benzenoids superclass.</description> <cas>61290-30-0</cas> <pubchem-id>109073</pubchem-id> <chemical-formula>C14H13N4O4S+</chemical-formula> <weight>333.34</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">2026-08-28T05:02:15Z</created-at> <updated-at type="dateTime">2026-08-28T05:02:15Z</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=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)O)OC)[N+]#N</moldb-smiles> <moldb-formula>C14H13N4O4S+</moldb-formula> <moldb-inchi>InChI=1S/C14H12N4O4S/c1-9-6-13(16-15)14(22-2)8-12(9)18-17-10-4-3-5-11(7-10)23(19,20)21/h3-8H,1-2H3/p+1</moldb-inchi> <moldb-inchikey>HYLVOMPFLVGUCF-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">333.0657511</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM286809</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-methoxy-5-methyl-4-[(3-sulfophenyl)diazenyl]benzenediazonium</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>Aniline and substituted anilines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0242503</sync-id> <structure-inchikey>HYLVOMPFLVGUCF-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>402000000000000000000000000000000010000000000800000000000000400000000000000001000000020000000000000000000000000000000001000000000000000000200100008000000020000020000020000100000004000000000000000000010000000040040000100000000000001000004000000000040000000001000040000002800000000000000000000000000000000000000000000000000000000000000000000008088100004000000000000000088001000000008080000010000000000000000000000000000080000000002000000200000000000000000000000002000040000000000000000000000020000010000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@(������@h�������@(�������(�������(������@(������@h�������@(������@h�������@h�������@h�������� ������(�������(�������`�������(�������`������ *��������(�����������h���h���h���h���h��� ��(�� h� �h���h�� h� �h����������������� ����� ��(���h�� h�B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:25Z</structure-indexed-at> </compound>