1.0 2010-04-08 22:14:25 UTC 2019-11-26 03:17:36 UTC FDB019534 2-[(Ethylthio)methyl]furan Constituent of roast Arabica coffee aroma. 2-[(Ethylthio)methyl]furan is found in coffee and coffee products. (2-Furfurylthio)ethane (furfurylthio)ethane 2-[(Ethylsulfanyl)methyl]furan 2-[(Ethylthio)methyl]furan, 9CI Ethyl furfuryl sulfide Furfuryl ethyl sulfide C7H10OS 142.219 142.045235632 2-[(ethylsulfanyl)methyl]furan 2-[(ethylsulfanyl)methyl]furan 2024-70-6 CCSCC1=CC=CO1 InChI=1S/C7H10OS/c1-2-9-6-7-4-3-5-8-7/h3-5H,2,6H2,1H3 WGQJSONNMGREEA-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Dialkylthioethers Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Sulfenyl compounds Aromatic heteromonocyclic compound Dialkylthioether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Sulfenyl compound Thioether logp 2.63 ALOGPS logs -2.81 ALOGPS solubility 2.18e-01 g/l ALOGPS logp 2 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-[(ethylsulfanyl)methyl]furan ChemAxon average_mass 142.219 ChemAxon mono_mass 142.045235632 ChemAxon smiles CCSCC1=CC=CO1 ChemAxon formula C7H10OS ChemAxon inchi InChI=1S/C7H10OS/c1-2-9-6-7-4-3-5-8-7/h3-5H,2,6H2,1H3 ChemAxon inchikey WGQJSONNMGREEA-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 40.9 ChemAxon polarizability 16.01 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16802 Specdb::CMs 132425 Specdb::CMs 140159 Specdb::MsMs 83817 Specdb::MsMs 83818 Specdb::MsMs 83819 Specdb::MsMs 145509 Specdb::MsMs 145510 Specdb::MsMs 145511 Specdb::MsMs 2719776 Specdb::MsMs 2719777 Specdb::MsMs 2719778 Specdb::MsMs 2958837 Specdb::MsMs 2958838 Specdb::MsMs 2958839 Specdb::MsIr 8397 Specdb::MsIr 8398 HMDB39875 #<Reference:0x000055ce3276e908> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390