100629 <common-name>Ethyl a-mercaptofuran-2-butyrate</common-name> <description>Ethyl a-mercaptofuran-2-butyrate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C10H14O3S and an average molecular weight of 214.28 g/mol.</description> <cas>94042-79-2</cas> <pubchem-id>44152886</pubchem-id> <chemical-formula>C10H14O3S</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">2026-04-05T07:58:45Z</created-at> <updated-at type="dateTime">2026-04-05T07:58:45Z</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>CCOC(=O)C(S)CCC1=CC=CO1</moldb-smiles> <moldb-formula>C10H14O3S</moldb-formula> <moldb-inchi>InChI=1/C10H14O3S/c1-2-12-10(11)9(14)6-5-8-4-3-7-13-8/h3-4,7,9,14H,2,5-6H2,1H3</moldb-inchi> <moldb-inchikey>FSMRWQFJKNXIQF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">214.28</moldb-average-mass> <moldb-mono-mass type="decimal">214.0663653</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM096522</chemdb-id> <dsstox-id>DTXSID70916604</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063726</susdat-id> <iupac nil="true"/> <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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0081440</sync-id> <structure-inchikey>FSMRWQFJKNXIQF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000010000000000000000000040000000000000002000000000010000000000000000000000010000000002000000000000000000000000000000000000000000020800000000100000010001000000000001000010000000000000000000000000000000000000000000000000000000000000040000000800000000008000000000000000000000000421000000000000000000000000000000000080000004000000100000020000000000002000000000000000000000000000000000000000000000000002000000200000000000000002000000000000040000000000402020000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAMBEABgAAAAAQEGAGAA AAACAgYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEIQCgAAAADAgsAAQABAgACAyADBCgCAwUABQYABQcABwgACAkACQpoDAoL aAwLDGgMDA1oDA0JaAxCAQAAAAUJCgsMDRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:23Z</structure-indexed-at> </compound>