5944 <common-name>BENZYL METHYL SULFIDE</common-name> <description>BENZYL METHYL SULFIDE belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C8H10S and an average molecular weight of 138.23 g/mol. In industrial applications, it serves as a flavouring agent and a nutrient. The substance is found in or released from five recorded sources, including household cleaning and consumer products such as soap detergents and perfumes within detergents and soaps. It is also associated with electrical and electronic equipment, specifically magnets, hybrid capacitors, and thin magnetic films. Additionally, BENZYL METHYL SULFIDE is released in plastics, specifically polystyrene and polypropylene.</description> <cas>766-92-7</cas> <pubchem-id>13016</pubchem-id> <chemical-formula>C8H10S</chemical-formula> <weight>138.23</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">2016-05-19T01:55:29Z</created-at> <updated-at type="dateTime">2026-08-24T11:48:01Z</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>CSCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C8H10S</moldb-formula> <moldb-inchi>InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3</moldb-inchi> <moldb-inchikey>OFQPKKGMNWASPN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">138.23</moldb-average-mass> <moldb-mono-mass type="decimal">138.05032101</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>12475</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>CHEM004839</chemdb-id> <dsstox-id>DTXSID1061106</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022767</susdat-id> <iupac>methylsulfanylmethylbenzene</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>43.5535</moldb-refractivity> <moldb-polarizability>16.020017214244465</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.73</moldb-alogps-logp> <moldb-alogps-logs>-3.02</moldb-alogps-logs> <moldb-alogps-solubility>1.33e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">10</paper-count> <sync-id>CED0003919</sync-id> <structure-inchikey>OFQPKKGMNWASPN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000000000000000000000000000000000004200000000000000000000000000000000000000000000000000000000100000000000000100000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000040200000800000000000000000000000000100000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000220000000000000000000000000000040000000000000000200000000000000000000000040</structure-fingerprint> <structure-pattern-fingerprint>80000000000000000000200000000000000400000000004002000004400000000080000000000100000000000420002000042000000044200020000080110000020000000000000000420000000001004000010200000020000000000c2004040000020000000000400000002000001000008000110800000011000200400000044000000c00200008000000100c00024400008000000800000040004001000000004000000008000014000002c0000000400840000000000000001000000000240000000180000000000000000000000000400000000000080000000000000000010000000000000002000000000000004000020000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACQAAAIABBgBgAAAAAQMQACAAAAAC BgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQsAAQABAgACAwADBGgMBAVoDAUGaAwGB2gMBwho DAgDaAxCAQAAAAYDCAcGBQQXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:08Z</structure-indexed-at> </compound>