288465 <common-name>3-[(dimethylamino)methyl]-3-ethyl-2-benzothiophen-1-one</common-name> <description>3-[(dimethylamino)methyl]-3-ethyl-2-benzothiophen-1-one belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C13H17NOS and an average molecular weight of 235.35 g/mol. It is further classified as an organic nitrogen compound.</description> <cas nil="true"/> <pubchem-id>3062411</pubchem-id> <chemical-formula>C13H17NOS</chemical-formula> <weight>235.35</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">2026-08-28T01:28:42Z</created-at> <updated-at type="dateTime">2026-08-28T01:28:42Z</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>CCC1(C2=CC=CC=C2C(=O)S1)CN(C)C</moldb-smiles> <moldb-formula>C13H17NOS</moldb-formula> <moldb-inchi>InChI=1S/C13H17NOS/c1-4-13(9-14(2)3)11-8-6-5-7-10(11)12(15)16-13/h5-8H,4,9H2,1-3H3</moldb-inchi> <moldb-inchikey>IJHLMBKNFATZLA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">235.1030853</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM284358</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>3-[(dimethylamino)methyl]-3-ethyl-2-benzothiophen-1-one</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0240211</sync-id> <structure-inchikey>IJHLMBKNFATZLA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000800000000000000000000000000000000000000000000000000002000020000000008000000000000000000000000000000000000000000000000000000000000000000000000028000010000000000000000002000000000000400000000000000000004000000000000000001000000080000000000000000048000000800000000000000000100000000100000000000000000000000000000000000001000000080000000000000008000800000000000000400000000200080000000000000000080400000000000000000000000210000000000000000000000000000440000000000000000000000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAIAAAAAQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMEBgAoAAAAAwQIACgAAAADAhAAIAAAAAIGAGAAAAAC AgcAIAAAAAMGAGAAAAABAwYAYAAAAAEDCwABAAECAAIDAAMEaAwEBWgMBQZo DAYHaAwHCGgMCAkgCQooAgkLAAIMAAwNAA0OAA0PAAsCAAgDaAxCAgAAAAUC AwgJCwYEBQYHCAMXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:37Z</structure-indexed-at> </compound>