306111 <common-name>2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid</common-name> <description>2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C17H15NO4S and an average molecular weight of 329.40 g/mol.</description> <cas>36782-53-3</cas> <pubchem-id>37539</pubchem-id> <chemical-formula>C17H15NO4S</chemical-formula> <weight>329.4</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">2026-08-28T23:50:32Z</created-at> <updated-at type="dateTime">2026-08-28T23:50:32Z</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>COC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O)OC</moldb-smiles> <moldb-formula>C17H15NO4S</moldb-formula> <moldb-inchi>InChI=1S/C17H15NO4S/c1-21-13-6-4-11(9-14(13)22-2)17-18-12-5-3-10(8-16(19)20)7-15(12)23-17/h3-7,9H,8H2,1-2H3,(H,19,20)</moldb-inchi> <moldb-inchikey>UWXRMZYMTHVJOU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">329.0721791</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>CHEM302004</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-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Methoxybenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0257182</sync-id> <structure-inchikey>UWXRMZYMTHVJOU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800200000000000800002000000000000000000000400000000010000200040000000000002004000000000000000000000000000000000000000004000000000000000000000020000010000100000000000000000000000000010000000044000000100400800020000000000040000000000004000000000040000000004000000000200000800000000000000002000400000000000000000000000000000000080000000000000000000000000000000000000080000000000000000000000000000000040000000000000000400220000000000000000200000001000040000000000400020004000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGQAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMEB0AoAAAAAwMGQCgAAAADBAZAKAAAAAMEEEAoAAAA AwIGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQYAYAAAAAIC BgAoAAAAAwQIACgAAAADAggAaAAAAAMBAQgAKAAAAAMCBgBgAAAAAQMLAAEA AQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwFCCAICWgMCQpoDAoLaAwLDGgMCw1o DA0OaAwOD2gMDxBoDA4RABESABITKAISFCADFSAVFgAHAmgMDAhoDBAKaAxC AwAAAAYCBwYFBAMFCQgMCwoGDQ4PEAoLFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:44Z</structure-indexed-at> </compound>