297736 <common-name>1-(4-methylsulfanylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane</common-name> <description>1-(4-methylsulfanylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the formula C15H20O3S and an average molecular weight of 280.40 g/mol.</description> <cas>97720-18-8</cas> <pubchem-id>175739</pubchem-id> <chemical-formula>C15H20O3S</chemical-formula> <weight>280.4</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">2026-08-28T14:00:02Z</created-at> <updated-at type="dateTime">2026-08-28T14:00:02Z</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>CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)SC</moldb-smiles> <moldb-formula>C15H20O3S</moldb-formula> <moldb-inchi>InChI=1S/C15H20O3S/c1-3-8-14-9-16-15(17-10-14,18-11-14)12-4-6-13(19-2)7-5-12/h4-7H,3,8-11H2,1-2H3</moldb-inchi> <moldb-inchikey>SNBLZXNLEDMSPH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">280.1133157</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>CHEM293629</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-propyl-2,6,7-trioxabicyclo[2.2.2]octane</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" nil="true"/> <sync-id>CED0249112</sync-id> <structure-inchikey>SNBLZXNLEDMSPH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000010000000000000000000000000000000002000000000000000000010000200000000000000000000008000000000000000008000000000000000000000000800000000000000000000000000000000030001080000000000000000000000000020000000000000000000000420000000048000000000000000000000000000000004000000080000001000000000000000000000000020000080000001000000020000000000000000040000000000000000000000000008000000000000000000000001000000200000000000000000000000000000040000000000000000200000000000000000000000000</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">2026-09-19T05:08:32Z</structure-indexed-at> </compound>