84731 <common-name>Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate</common-name> <description>Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. With an average molecular weight of 608.70 g/mol, Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate is a heavy molecule. The compound is characterized by the chemical formula C28H18N4O3S4.</description> <cas>47812-48-6</cas> <pubchem-id>82389</pubchem-id> <chemical-formula>C28H18N4O3S4</chemical-formula> <weight>586.7</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">2026-04-04T20:07:10Z</created-at> <updated-at type="dateTime">2026-08-22T08:01:21Z</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>[Na+].CC1=CC=C2N=C(SC2=C1S([O-])(=O)=O)C1=CC=C2N=C(SC2=C1)C1=CC=C2N=C(SC2=C1)C1=CC=C(N)C=C1</moldb-smiles> <moldb-formula>C28H18N4O3S4</moldb-formula> <moldb-inchi>InChI=1/C28H18N4O3S4.Na/c1-14-2-9-21-24(25(14)39(33,34)35)38-28(32-21)17-6-11-20-23(13-17)37-27(31-20)16-5-10-19-22(12-16)36-26(30-19)15-3-7-18(29)8-4-15;/h2-13H,29H2,1H3,(H,33,34,35);/q;+1/p-1</moldb-inchi> <moldb-inchikey>AKGLQCZVRWSQHL-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">608.7</moldb-average-mass> <moldb-mono-mass type="decimal">586.0261744</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.7</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>CHEM080624</chemdb-id> <dsstox-id>DTXSID5064962</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00044717</susdat-id> <iupac>2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic 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>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0190155</sync-id> <structure-inchikey>AKGLQCZVRWSQHL-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>180000002000000000000000000000000000000010000000040010020000002000000000000000000000000000000000000000000004000000000000000000000020000010000000001000008000000000000000000000100000000000100480800000000000000040000000000000040000000040000000004000000000200000809000000000040000000000000000040000042000200000000000080100000000000000004000080000000000000000000000000000000000000000000000040000100000002000000220000000000008000000000001000440000000000000020004000000000000000000000000</structure-fingerprint> 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