346901 <common-name>2-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol</common-name> <description>2-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol is a compound with the formula C27H33N2O3S2+. It has an average molecular weight of 497.70 g/mol.</description> <cas nil="true"/> <pubchem-id>113899</pubchem-id> <chemical-formula>C27H33N2O3S2+</chemical-formula> <weight>497.7</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">2026-08-31T10:27:42Z</created-at> <updated-at type="dateTime">2026-08-31T10:27:42Z</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>CCC(=CC1=[N+](C2=C(S1)C=C(C(=C2)C)OC)CCO)C=C3N(C4=C(S3)C=C(C(=C4)C)OC)CC</moldb-smiles> <moldb-formula>C27H33N2O3S2+</moldb-formula> <moldb-inchi>InChI=1S/C27H33N2O3S2/c1-7-19(13-26-28(8-2)20-11-17(3)22(31-5)15-24(20)33-26)14-27-29(9-10-30)21-12-18(4)23(32-6)16-25(21)34-27/h11-16,30H,7-10H2,1-6H3/q+1</moldb-inchi> <moldb-inchikey>AELVMMNAXGMNRK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">497.1932603</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM342794</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-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol</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" nil="true"/> <sync-id>CED0297249</sync-id> <structure-inchikey>AELVMMNAXGMNRK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000200000000000800000000000000000002001000004000002000020400000000002000000000001000000000000100000000001000001004000000000000000000400000000080000000008000000000010000300000001000000000000000002010400000040000000900400200000000180040000000000000000000000010040000000000000000000010000000000000000000000000000000000000100000004000000020000080100400000000000000000000000000000000080000000020000400100000000000000000900000000002800002000000080000000000000000008000040000000000010000000040020000000000000000008</structure-fingerprint> 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YAAAAAEDCAAoAAAAAwIGAGAAAAABAwYAYAAAAAICBgBgAAAAAQMLAAEAAQIA AgMoAgMEIAQFaAwFBmgMBgdoDAcIaAwHCWgMCQpoDAoLaAwLDGgMCw0ACg4g Dg8ABRAAEBEAERIAAhMgExQoAhQVIBUWIBYXaAwXGAAXGWgMGRpoDBobaAwb HGgMGx0AGh4gHh8AFSAAICEACARoDAwGaAwYFAAcFmgMQgQAAAAFBQQIBwYG CQoLDAYHBRUUGBcWBhkaGxwWFxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:31Z</structure-indexed-at> </compound>