308468 <common-name>1-(3-chloro-4-pentoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone</common-name> <description>1-(3-chloro-4-pentoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C17H23ClN2O2S and an average molecular weight of 354.90 g/mol. It is further classified as an organic oxygen compound.</description> <cas nil="true"/> <pubchem-id>3074665</pubchem-id> <chemical-formula>C17H23ClN2O2S</chemical-formula> <weight>354.9</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">2026-08-29T02:52:21Z</created-at> <updated-at type="dateTime">2026-08-29T02:52:21Z</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>CCCCCOC1=C(C=C(C=C1)C(=O)CSC2=NCCN2C)Cl</moldb-smiles> <moldb-formula>C17H23ClN2O2S</moldb-formula> <moldb-inchi>InChI=1S/C17H23ClN2O2S/c1-3-4-5-10-22-16-7-6-13(11-14(16)18)15(21)12-23-17-19-8-9-20(17)2/h6-7,11H,3-5,8-10,12H2,1-2H3</moldb-inchi> <moldb-inchikey>NPEHMQWOMAJVSI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">354.1168768</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM304361</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-(3-chloro-4-pentoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone</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>CED0259492</sync-id> <structure-inchikey>NPEHMQWOMAJVSI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40400000000000010800200000800000000000000000000000000000000000000000002000040000004100002002000000000000000000001000000000000000000000000400000010000000000000020000001000100000000000000000000000020010000000000000400104002000000020100000000000001000000001000000040000000000042000000204000000000000000000000000040000000000000000000000000000000084000000000000008080000008000000002000000000000000000000000000000000000000010044000000000000200000000000000000000000000000040000000010400000000010020000000010000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(������@(������@(������@h�������@(������@h�������@h��������(�������(�������`������� ������(�������(�������`�������`�������(�������`������� ���������������������� ��h���h�� h� h� �h� � � (������������(������������������h��� B������� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:23Z</structure-indexed-at> </compound>