300426 <common-name>2-[2-(2-hydroxy-3-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid</common-name> <description>2-[2-(2-hydroxy-3-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C16H13NO3S and an average molecular weight of 299.30 g/mol.</description> <cas>36782-41-9</cas> <pubchem-id>37536</pubchem-id> <chemical-formula>C16H13NO3S</chemical-formula> <weight>299.3</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">2026-08-28T17:18:14Z</created-at> <updated-at type="dateTime">2026-08-28T17:18:14Z</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=C(C(=CC=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O)O</moldb-smiles> <moldb-formula>C16H13NO3S</moldb-formula> <moldb-inchi>InChI=1S/C16H13NO3S/c1-9-3-2-4-11(15(9)20)16-17-12-6-5-10(8-14(18)19)7-13(12)21-16/h2-7,20H,8H2,1H3,(H,18,19)</moldb-inchi> <moldb-inchikey>SASVEAACVSHSDE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">299.0616145</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM296319</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-hydroxy-3-methylphenyl)-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>Organoheterocyclic compounds</superklass> <klass>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0251702</sync-id> <structure-inchikey>SASVEAACVSHSDE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000020000000002000000000000000000000100002000400000080000020040000000000000000000000000000000000000000040000000000000000000000a0000010000000000000000000000000000000010000000000000000100400000020000000000040000080000004000001000040000000804000000000200000000000000000000002000000000000000000000000000000000000080100000000000800000000000000000000000000000000000000002000000000000000040000080000002000400220000000000000000200000001000044000000000400020000000000000001000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQCgAAAADBBBAKAAAAAMCBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGAGAAAAACAgYAKAAAAAME CAAoAAAAAwIIAGgAAAADAQEIAGgAAAADAQELAAEAAQJoDAIDaAwDBGgMBAVo DAUGaAwDByAHCGgMCAloDAkKaAwKC2gMCgxoDAwNaAwNDmgMDg9oDA0QABAR ABESKAIREyACFCAGAWgMCwdoDA8JaAxCAwAAAAYBBgUEAwIFCAcLCgkGDA0O DwkKFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:29Z</structure-indexed-at> </compound>