74722 <common-name>Benzenesulfonothioic acid, 4-methyl-, S-methyl ester (9CI)</common-name> <description>Benzenesulfonothioic acid, 4-methyl-, S-methyl ester (9CI) belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C8H10O2S2 and an average molecular weight of 202.29 g/mol.</description> <cas>4973-66-4</cas> <pubchem-id>78672</pubchem-id> <chemical-formula>C8H10O2S2</chemical-formula> <weight>202.3</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">2026-04-04T02:14:15Z</created-at> <updated-at type="dateTime">2026-08-24T11:38:26Z</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>CSS(=O)(=O)C1=CC=C(C)C=C1</moldb-smiles> <moldb-formula>C8H10O2S2</moldb-formula> <moldb-inchi>InChI=1S/C8H10O2S2/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3</moldb-inchi> <moldb-inchikey>YSAGJMNZJWNJOL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">202.29</moldb-average-mass> <moldb-mono-mass type="decimal">202.012221</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>71023</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>CHEM070615</chemdb-id> <dsstox-id>DTXSID90198001</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00031949</susdat-id> <iupac>1-methyl-4-methylsulfanylsulfonylbenzene</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>Toluenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0178280</sync-id> <structure-inchikey>YSAGJMNZJWNJOL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000009000000000000000000001000000020000000000200000000000000000000000000000000000000000000000000000000000000020000000000000001000000000000000020000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000800000000080000000000000000010000080000000000000000000000000000000000000000000000000000000000002000000200000000000000000100000000000040000000000080000000000000000000040000000000</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">2026-09-19T04:23:10Z</structure-indexed-at> </compound>