294282 <common-name>2-[4-[(dimethylamino)methyl]-1,3-dithiolan-2-yl]cyclooctan-1-one</common-name> <description>2-[4-[(dimethylamino)methyl]-1,3-dithiolan-2-yl]cyclooctan-1-one belongs to the 1,3-dithiolanes, a subclass of dithiolanes within the organic compounds. It is an organoheterocyclic compound with the formula C14H25NOS2 and an average molecular weight of 287.50 g/mol.</description> <cas>53491-71-7</cas> <pubchem-id>3041121</pubchem-id> <chemical-formula>C14H25NOS2</chemical-formula> <weight>287.5</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">2026-08-28T09:52:30Z</created-at> <updated-at type="dateTime">2026-08-28T09:52:30Z</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>CN(C)CC1CSC(S1)C2CCCCCCC2=O</moldb-smiles> <moldb-formula>C14H25NOS2</moldb-formula> <moldb-inchi>InChI=1S/C14H25NOS2/c1-15(2)9-11-10-17-14(18-11)12-7-5-3-4-6-8-13(12)16/h11-12,14H,3-10H2,1-2H3</moldb-inchi> <moldb-inchikey>QOPGWGJAAZQVSB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">287.1377568</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM290175</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>2-[4-[(dimethylamino)methyl]-1,3-dithiolan-2-yl]cyclooctan-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>Organoheterocyclic compounds</superklass> <klass>Dithiolanes</klass> <subklass>1,3-dithiolanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0245763</sync-id> <structure-inchikey>QOPGWGJAAZQVSB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000818010000000000000000000000008000000000000000000000000010220000000000000200000000000000000000100000000000000000000000000000000000000000000000028000010000000000000000000000000000000000000002000000000004020000000020001000000000000020000100800000040001000000000000000000000100000000000000000000000000000002000000004000000000000080000000000000001000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000008000080000000000400000000000000000000000010010000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAQMGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIQACAAAAACBgBgAAAA AwEQACAAAAACBgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCwABAAECAAED AAMEAAQFAAUGAAYHAAcIAAcJAAkKAAoLAAsMAAwNAA0OAA4PAA8QABARCAII BAAQCQBCAgAAAAUEBQYHCAgKCwwNDg8QCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:05:55Z</structure-indexed-at> </compound>