79983 <common-name>Ethyl 3-((4-methylphenyl)thio)propionate</common-name> <description>Ethyl 3-((4-methylphenyl)thio)propionate belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the chemical formula C12H16O2S1 and an average molecular weight of 224.32 g/mol.</description> <cas>85169-05-7</cas> <pubchem-id>3020476</pubchem-id> <chemical-formula>C12H16O2S1</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">2026-04-04T15:16:12Z</created-at> <updated-at type="dateTime">2026-04-04T15:16:12Z</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)CCSC1=CC=C(C)C=C1</moldb-smiles> <moldb-formula>C12H16O2S1</moldb-formula> <moldb-inchi>InChI=1S/C12H16O2S/c1-3-14-12(13)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3</moldb-inchi> <moldb-inchikey>JHQSBVMORQJICP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">224.32</moldb-average-mass> <moldb-mono-mass type="decimal">224.0871</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2287360</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>CHEM075876</chemdb-id> <dsstox-id>DTXSID30234331</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038828</susdat-id> <iupac>ethyl 3-(4-methylphenyl)sulfanylpropanoate</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer">45</paper-count> <sync-id>CED0024081</sync-id> <structure-inchikey>JHQSBVMORQJICP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000200000000800000000800000010000000000000000000001000000000000003000000000004000000000000000000000000000000000000000000000000000000000000000000000000000020000004000100000000000000000000000000011000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000002000000000010020001000000000000000000000000000000082000000000000000000000000000000000000000000008000000000000000000000000000000000000002000000200000000000000000100000000000040000000000480000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������`������� �����@(������@h�������@h�������@(�������`������@h�������@h��������������� ��(�������������� h� h� �h����� h� �h���h�B������� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:01Z</structure-indexed-at> </compound>