6521 <common-name>2,5-DIMETHYL-3-FURANTHIOL ACETATE</common-name> <description>2,5-DIMETHYL-3-FURANTHIOL ACETATE is an organosulfur compound with the formula C8H10O2S and an average molecular weight of 170.23 g/mol. 2,5-DIMETHYL-3-FURANTHIOL ACETATE belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. In industrial contexts, this compound is utilized as a nutrient and a flavouring agent.</description> <cas>55764-22-2</cas> <pubchem-id>108764</pubchem-id> <chemical-formula>C8H10O2S</chemical-formula> <weight>170.23</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">2016-05-19T02:01:56Z</created-at> <updated-at type="dateTime">2026-08-24T11:37:27Z</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>CC(=O)SC1=C(C)OC(C)=C1</moldb-smiles> <moldb-formula>C8H10O2S</moldb-formula> <moldb-inchi>InChI=1S/C8H10O2S/c1-5-4-8(6(2)10-5)11-7(3)9/h4H,1-3H3</moldb-inchi> <moldb-inchikey>LULNJORVPBVGRB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">170.229</moldb-average-mass> <moldb-mono-mass type="decimal">170.040150254</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>97803</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>CHEM005416</chemdb-id> <dsstox-id>DTXSID0069046</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022375</susdat-id> <iupac>S-(2,5-dimethylfuran-3-yl) ethanethioate</iupac> <moldb-polar-surface-area>30.21</moldb-polar-surface-area> <moldb-refractivity>46.44650000000001</moldb-refractivity> <moldb-polarizability>17.866008602101864</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-2.696297514374267</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.76</moldb-alogps-logp> <moldb-alogps-logs>-2.87</moldb-alogps-logs> <moldb-alogps-solubility>2.29e-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">211734</paper-count> <sync-id>CED0042146</sync-id> <structure-inchikey>LULNJORVPBVGRB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000020800000000000000000000000000000000000010000001000000002100000000000000000000000000000000000404000000040000000000000000000000000000000000000000000000000000000080000000000000008000000080000000000000000000000000080000000000000000000000000000800000008000000000004000000002000020000000000000000000000000000200040000000000400000000000000000000000000200000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCEAAgAAAAAgZAKAAAAAMEBkAoAAAAAwQGAGAAAAABAwhAKAAA AAMCBkAoAAAAAwQGAGAAAAABAwZAaAAAAAMDAQsAAQABAggCAQMAAwQABAVo DAUGAAUHaAwHCGgMCAkACApoDAoEaAxCAQAAAAUEBQcIChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:23Z</structure-indexed-at> </compound>