74603 <common-name>5-(Ethylthio)-o-anisic acid</common-name> <description>5-(Ethylthio)-o-anisic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H12O3S1 and an average molecular weight of 212.26 g/mol.</description> <cas>4816-23-3</cas> <pubchem-id>78538</pubchem-id> <chemical-formula>C10H12O3S1</chemical-formula> <weight nil="true"/> <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">2026-04-04T02:02:29Z</created-at> <updated-at type="dateTime">2026-04-04T02:02:29Z</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>CCSC1=CC(C(O)=O)=C(OC)C=C1</moldb-smiles> <moldb-formula>C10H12O3S1</moldb-formula> <moldb-inchi>InChI=1S/C10H12O3S/c1-3-14-7-4-5-9(13-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)</moldb-inchi> <moldb-inchikey>ICHLZNKXBSZZON-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.26</moldb-average-mass> <moldb-mono-mass type="decimal">212.050715</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>70899</chemspider-id> <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>CHEM070496</chemdb-id> <dsstox-id>DTXSID20197446</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00031774</susdat-id> <iupac>5-ethylsulfanyl-2-methoxybenzoic 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>Benzoic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0121905</sync-id> <structure-inchikey>ICHLZNKXBSZZON-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800200000800000000000400000000000000001000400000000002000000000004000000000004000000000000000080000000000000000000000000000000000000000000000020000000000100000000800000000000000000011000000040000000100000000000000000000000000000000000000000030040000000000000000000000000000000000000000000000001000000000000000000000000000000080000000000000000000000000000000000000080000000000000000000010000000000000000000000000000000200000000000000000000000000000040000000000400000000000020000100004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC AhAAIAAAAAIGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBgAoAAAAAwQIAGgA AAADAQEIACgAAAADAgZAKAAAAAMECAAoAAAAAwIGAGAAAAABAwZAaAAAAAMD AQZAaAAAAAMDAQsAAQABAgACAwADBGgMBAVoDAUGIAYHIAYIKAIFCWgMCQog CgsACQxoDAwNaAwNA2gMQgEAAAAGAw0MCQUEFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:03Z</structure-indexed-at> </compound>