293887 <common-name>Octan-2-ylsulfonylbenzene</common-name> <description>Octan-2-ylsulfonylbenzene belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C14H22O2S and an average molecular weight of 254.39 g/mol.</description> <cas>51801-03-7</cas> <pubchem-id>4049028</pubchem-id> <chemical-formula>C14H22O2S</chemical-formula> <weight>254.39</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">2026-08-28T09:24:44Z</created-at> <updated-at type="dateTime">2026-08-28T09:24:44Z</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>CCCCCCC(C)S(=O)(=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C14H22O2S</moldb-formula> <moldb-inchi>InChI=1S/C14H22O2S/c1-3-4-5-7-10-13(2)17(15,16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3</moldb-inchi> <moldb-inchikey>PNIHDTDKDYLWPI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">254.1340511</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM289780</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>Octan-2-ylsulfonylbenzene</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0245374</sync-id> <structure-inchikey>PNIHDTDKDYLWPI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800080000000000000000000000000000000000000000000001002000001000000020000000004000000000000000000000000000000000000000000000100010000000000000020000000000000000000001000000000002020000000000000000000000000000000000008000000004000000000000000000040000000800000000000010000000000000100000000000000000000100000000000010000000000080000000000000008000000080000000000000000000000000000000000000000000000000000000000000000000200000000000000800000000000000040000000010000000000000000000000000000000000</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���h�B��������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:05:39Z</structure-indexed-at> </compound>