7782 <common-name>2-METHYL-3 OR 5 OR 6-(FURFURYLTHIO)PYRAZINE (MIXTURE OF ISOMERS)</common-name> <description>2-METHYL-3 OR 5 OR 6-(FURFURYLTHIO)PYRAZINE (MIXTURE OF ISOMERS) is an organosulfur compound with the formula C10H10N2OS and an average molecular weight of 206.26 g/mol. 2-METHYL-3 OR 5 OR 6-(FURFURYLTHIO)PYRAZINE (MIXTURE OF ISOMERS) belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. In industrial applications, this mixture of isomers is used as a flavouring and nutrient.</description> <cas>59035-98-2</cas> <pubchem-id>101003</pubchem-id> <chemical-formula>C10H10N2OS</chemical-formula> <weight>206.27</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">2016-05-19T02:16:32Z</created-at> <updated-at type="dateTime">2026-08-17T21:27:05Z</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=C(SCC2=CC=CO2)N=CC=N1</moldb-smiles> <moldb-formula>C10H10N2OS</moldb-formula> <moldb-inchi>InChI=1S/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3</moldb-inchi> <moldb-inchikey>PFRSWMCUERVSAT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.264</moldb-average-mass> <moldb-mono-mass type="decimal">206.051383642</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>91191</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>CHEM006677</chemdb-id> <dsstox-id>DTXSID2069319</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022462</susdat-id> <iupac>2-(furan-2-ylmethylsulfanyl)-3-methylpyrazine</iupac> <moldb-polar-surface-area>38.92</moldb-polar-surface-area> <moldb-refractivity>56.614799999999995</moldb-refractivity> <moldb-polarizability>21.572979615285693</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>0.947575772621775</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.16</moldb-alogps-logp> <moldb-alogps-logs>-2.87</moldb-alogps-logs> <moldb-alogps-solubility>2.80e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0062366</sync-id> <structure-inchikey>PFRSWMCUERVSAT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000800800000800000000000000000000000000000000000000000000000000000004020000002000000000000000000000002000000000000000000000000000000000000000000000900000800000000000000000002000001000000000080000000000000000000000000000000000000000000000000000000040010000800000000000000000000000000000000000400000000000000000000000000000000000082000000000000000080020000000000002001000000000000000000000000000000000000000000000002000000200000000000000000000000000002040000000000002020040000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEEAAgAAAAAgYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEGQGgAAAADAwEIQCgAAAADAgdAKAAAAAMDBkBoAAAAAwMBBkBoAAAA AwMBB0AoAAAAAwMLAAEAAQJoDAIDAAMEAAQFAAUGaAwGB2gMBwhoDAgJaAwC CmgMCgtoDAsMaAwMDWgMDQFoDAkFaAxCAgAAAAYBDQwLCgIFBgUJCAcXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:02Z</structure-indexed-at> </compound>