281189 <common-name>2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol</common-name> <description>2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C11H14NO2S+ and an average molecular weight of 224.30 g/mol.</description> <cas nil="true"/> <pubchem-id>114276</pubchem-id> <chemical-formula>C11H14NO2S+</chemical-formula> <weight>224.3</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">2026-08-26T21:09:14Z</created-at> <updated-at type="dateTime">2026-08-26T21:09:14Z</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=[N+](C2=C(S1)C=C(C=C2)OC)CCO</moldb-smiles> <moldb-formula>C11H14NO2S+</moldb-formula> <moldb-inchi>InChI=1S/C11H14NO2S/c1-8-12(5-6-13)10-4-3-9(14-2)7-11(10)15-8/h3-4,7,13H,5-6H2,1-2H3/q+1</moldb-inchi> <moldb-inchikey>HXJGOUZNPDEFHO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">224.0745249</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM277082</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-(6-methoxy-2-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>CED0233181</sync-id> <structure-inchikey>HXJGOUZNPDEFHO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000002000000000000002000000000000000000000000200001000000000000200000000000000001004000040000000000000000000000000000000000000000000010001100000201000000000000040000810000000040000000100440000000000000000000000000000000000000010040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000080000000000000000000000000001000000100000000002000000200000000000000000000000000000040000200000000000000040008000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGQCgAAAAD BAdgKgAAAAEDBAZAKAAAAAMEBkAoAAAAAwQQQCgAAAADAgZAaAAAAAMDAQZA KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBCAAoAAAAAwIGAGAAAAABAwYAYAAA AAICBgBgAAAAAgIIAGAAAAABAQsAAQABAmgMAgNoDAMEaAwEBWgMBAZoDAYH aAwHCGgMCAloDAcKIAoLAAIMAAwNAA0OAAUBaAwJA2gMQgIAAAAFAQIDBAUG BgcICQMEFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:56:18Z</structure-indexed-at> </compound>