298074 <common-name>1-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylbutan-1-one</common-name> <description>1-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylbutan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C15H21NOS and an average molecular weight of 263.40 g/mol. It is further classified under the superclass of organic oxygen compounds and the class of organooxygen compounds.</description> <cas>59921-85-6</cas> <pubchem-id>43133</pubchem-id> <chemical-formula>C15H21NOS</chemical-formula> <weight>263.4</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">2026-08-28T14:27:19Z</created-at> <updated-at type="dateTime">2026-08-28T14:27:19Z</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>CSC1=CC=C(C=C1)C(=O)CCCN2CCCC2</moldb-smiles> <moldb-formula>C15H21NOS</moldb-formula> <moldb-inchi>InChI=1S/C15H21NOS/c1-18-14-8-6-13(7-9-14)15(17)5-4-12-16-10-2-3-11-16/h6-9H,2-5,10-12H2,1H3</moldb-inchi> <moldb-inchikey>XIDCYMLWJVYVFN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">263.1343855</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM293967</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>1-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylbutan-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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0249440</sync-id> <structure-inchikey>XIDCYMLWJVYVFN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000080000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000002400000000000000000000000000000000000001100000000000000000000000000002010000000000000000000000080000006000000000000000000000400000000000000000000000000100000000000000000000000000000008400000000200000010000000a000000040000000000008000000000000208000000000000000044000001000000200000000010000000000000000000040000000010400000000000000000002000000000004</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMQACAAAAAC BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBgBgAAAA AgIHACAAAAADBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgILAAEA AQIAAgNoDAMEaAwEBWgMBQZoDAYHaAwFCCAICSgCCAoACgsACwwADA0ADQ4A Dg8ADxAAEBEABwJoDBENAEICAAAABgIHBgUEAwUODREQDxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:08:46Z</structure-indexed-at> </compound>