6775 <common-name>2-ETHYL-3-METHYLTHIOPYRAZINE</common-name> <description>2-ETHYL-3-METHYLTHIOPYRAZINE is an organosulfur compound with the formula C7H10N2S and an average molecular weight of 154.23 g/mol. 2-ETHYL-3-METHYLTHIOPYRAZINE belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. In industrial contexts, it serves as a nutrient and a flavouring.</description> <cas>72987-62-3</cas> <pubchem-id>175366</pubchem-id> <chemical-formula>C7H10N2S</chemical-formula> <weight>154.24</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">2016-05-19T02:05:00Z</created-at> <updated-at type="dateTime">2026-08-23T17:19:01Z</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>CCC1=C(SC)N=CC=N1</moldb-smiles> <moldb-formula>C7H10N2S</moldb-formula> <moldb-inchi>InChI=1S/C7H10N2S/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>XYHPPOMSLGJAAM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">154.23</moldb-average-mass> <moldb-mono-mass type="decimal">154.056469504</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>152817</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>CHEM005670</chemdb-id> <dsstox-id>DTXSID7072701</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022732</susdat-id> <iupac>2-ethyl-3-methylsulfanylpyrazine</iupac> <moldb-polar-surface-area>25.78</moldb-polar-surface-area> <moldb-refractivity>44.035</moldb-refractivity> <moldb-polarizability>16.50223503229197</moldb-polarizability> <moldb-rotatable-bond-count>2</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>0.816453421195861</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.12</moldb-alogps-logp> <moldb-alogps-logs>-1.19</moldb-alogps-logs> <moldb-alogps-solubility>9.87e+00 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>CED0127515</sync-id> <structure-inchikey>XYHPPOMSLGJAAM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000800000000800000000000000000000000000000000000000000002000000000000000000002000200000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040010000000000000000000000000000000000000000000000000000000000000000000000000000082100000000000000080000000000000000000000000000000000000000000000000000000000000000001000000000000000000100000000001000002040000040000000000000000000000000000000400000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABBgBgAAAAAQMGAGAAAAAC AgZAKAAAAAMEBkAoAAAAAwQQACAAAAACBgBgAAAAAQMHQCgAAAADAwZAaAAA AAMDAQZAaAAAAAMDAQdAKAAAAAMDCwABAAECAAIDaAwDBAAEBQADBmgMBgdo DAcIaAwICWgMCQJoDEIBAAAABgIJCAcGAxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:32Z</structure-indexed-at> </compound>