346115 <common-name>(2z)-2-[(e)-3-(7-chloro-1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1-ethylbenzo[e][1,3]benzothiazole</common-name> <description>(2z)-2-[(e)-3-(7-chloro-1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1-ethylbenzo[e][1,3]benzothiazole is a chemical compound with the formula C27H24ClN2S+. It has an average molecular weight of 444.00 g/mol.</description> <cas nil="true"/> <pubchem-id>44146695</pubchem-id> <chemical-formula>C27H24ClN2S+</chemical-formula> <weight>444</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">2026-08-31T09:26:45Z</created-at> <updated-at type="dateTime">2026-08-31T09:26:45Z</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>CCN1C(=CC=CC2=C3C=CC(=CC3=[N+](C=C2)CC)Cl)SC4=C1C5=CC=CC=C5C=C4</moldb-smiles> <moldb-formula>C27H24ClN2S+</moldb-formula> <moldb-inchi>InChI=1S/C27H24ClN2S/c1-3-29-17-16-20(22-14-13-21(28)18-24(22)29)9-7-11-26-30(4-2)27-23-10-6-5-8-19(23)12-15-25(27)31-26/h5-18H,3-4H2,1-2H3/q+1</moldb-inchi> <moldb-inchikey>JVJRFBLBRCYECL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">443.1348726</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8</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>CHEM342008</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>(2z)-2-[(e)-3-(7-chloro-1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1-ethylbenzo[e][1,3]benzothiazole</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>Naphthothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0296468</sync-id> <structure-inchikey>JVJRFBLBRCYECL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20200000000000800000000000000020000401004040100080000000000000000002000000008001000000000000000000000080000001000000000001000000100000400000080020000000000000000010000200000000000080000000002000000080001000800000180020000000000100040040000000001000000020000040000009800080000000000000000000100100000000000000000000000000000000000000040000080000000000000000000000000000000000000000000000060000000140000000000000000010000000000004000200000080000000000000000001000040000000000000000100000000020000000000000028</structure-fingerprint> 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