79229 <common-name>Benzenesulfonyl chloride, 2,4,6-trimethyl-</common-name> <description>Benzenesulfonyl chloride, 2,4,6-trimethyl- belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H11Cl1O2S1 and an average molecular weight of 218.70 g/mol.</description> <cas>773-64-8</cas> <pubchem-id>13046</pubchem-id> <chemical-formula>C9H11Cl1O2S1</chemical-formula> <weight>218.7</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">2026-04-04T13:56:03Z</created-at> <updated-at type="dateTime">2026-08-25T08:37:43Z</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>CC1=CC(C)=C(C(C)=C1)S(Cl)(=O)=O</moldb-smiles> <moldb-formula>C9H11Cl1O2S1</moldb-formula> <moldb-inchi>InChI=1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3</moldb-inchi> <moldb-inchikey>PVJZBZSCGJAWNG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">218.7</moldb-average-mass> <moldb-mono-mass type="decimal">218.016828</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>12504</chemspider-id> <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>CHEM075122</chemdb-id> <dsstox-id>DTXSID90228019</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037912</susdat-id> <iupac>2,4,6-trimethylbenzenesulfonyl chloride</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">0</paper-count> <sync-id>CED0130386</sync-id> <structure-inchikey>PVJZBZSCGJAWNG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000080000000000000000000000000000000000020000010000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000001000000000100000000000000000000000000000000000040000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080100000000000000000000080000000000000000000000000000000000000000000000000010000000002001000000000000000008000100000000000040000000000000000000400000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@h�������@(�������`������@(������@(�������`������@h�������� ������ ������(�������(�����������h���h������h���h������h�� � � ��� �����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:30Z</structure-indexed-at> </compound>