82865 <common-name>A-(methylsulphinyl)toluene</common-name> <description>A-(methylsulphinyl)toluene is an organic compound with the formula C8H10OS and an average molecular weight of 154.23 g/mol. A-(methylsulphinyl)toluene belongs to the benzyl sulfoxides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been identified in one recorded source, specifically food, food processing and cookware associated with processing fish.</description> <cas>824-86-2</cas> <pubchem-id>69991</pubchem-id> <chemical-formula>C8H10OS</chemical-formula> <weight>154.23</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">2026-04-04T19:06:33Z</created-at> <updated-at type="dateTime">2026-08-24T11:45:12Z</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>CS(=O)CC1=CC=CC=C1</moldb-smiles> <moldb-formula>C8H10OS</moldb-formula> <moldb-inchi>InChI=1/C8H10OS/c1-10(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3</moldb-inchi> <moldb-inchikey>LISVNGUOWUKZQY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">154.23</moldb-average-mass> <moldb-mono-mass type="decimal">154.0452359</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</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>CHEM078758</chemdb-id> <dsstox-id>DTXSID901002662</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00042458</susdat-id> <iupac>methylsulfinylmethylbenzene</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>Benzyl sulfoxides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0155271</sync-id> <structure-inchikey>LISVNGUOWUKZQY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000020000000000000000000000000000000000000000000000000000000000000000000004000000001000000000000000000000000000000000000000040000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000040200000800000000000000000000000000100000000004000004000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000220080000000000000000000000000040000080000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>800200000000000000202000000000000004000000200040020000044000000000800000000001000000000004200020000c20050000443000a0000080110000020000000000000000420000000001004000010200000420000000000c3004040000020000000000400000002000801000008004110800000011000200400000044000000c00200008000000100c00024400108002000800000040004041000000004000000008000034201002c00000004008404000000000000a1000000004240000000180000000000000000000000000400008000000080000000000000000010000000000000002000000000010004000024000000050000000</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">2026-09-19T04:28:54Z</structure-indexed-at> </compound>