1.02010-04-08 22:11:53 UTC2019-11-26 03:11:46 UTCFDB0155262-Methyl-3-(methylthio)furanOccurs in coffee and cooked beef aromas. Compd. with intense roasted meat aroma. 2-Methyl-3-(methylthio)furan is found in coffee and coffee products and animal foods.2-Methyl-3-(methylthio)furanDimethylthiofuranFEMA 3949Furan, 2-methyl-3-(methylthio)C6H8OS128.192128.0295855682-methyl-3-(methylsulfanyl)furan2-methyl-3-(methylsulfanyl)furan63012-97-5CSC1=C(C)OC=C1InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3OQVAOEIMSKZGAL-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.Aryl thioethersOrganic compoundsOrganosulfur compoundsThioethersAryl thioethersAromatic heteromonocyclic compoundsAlkylarylthioethersFuransHeteroaromatic compoundsHydrocarbon derivativesOrganooxygen compoundsOxacyclic compoundsSulfenyl compoundsAlkylarylthioetherAromatic heteromonocyclic compoundAryl thioetherFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSulfenyl compoundlogp2.24logs-2.29solubility6.57e-01 g/llogp1.94pka_strongest_basic-2.6iupac2-methyl-3-(methylsulfanyl)furanaverage_mass128.192mono_mass128.029585568smilesCSC1=C(C)OC=C1formulaC6H8OSinchiInChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3inchikeyOQVAOEIMSKZGAL-UHFFFAOYSA-Npolar_surface_area13.14refractivity36.48polarizability13.66rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs2544Specdb::CMs133075Specdb::CMs140809Specdb::MsIr7294Specdb::MsIr7295Specdb::MsMs178407Specdb::MsMs178408Specdb::MsMs178409Specdb::MsMs180726Specdb::MsMs180727Specdb::MsMs180728Specdb::MsMs2810816Specdb::MsMs2810817Specdb::MsMs2810818Specdb::MsMs2895604Specdb::MsMs2895605Specdb::MsMs2895606Specdb::NmrOneD274858Specdb::NmrOneD274859Specdb::NmrOneD274860Specdb::NmrOneD274861Specdb::NmrOneD274862Specdb::NmrOneD274863Specdb::NmrOneD274864Specdb::NmrOneD274865Specdb::NmrOneD274866Specdb::NmrOneD274867Specdb::NmrOneD274868Specdb::NmrOneD274869Specdb::NmrOneD274870Specdb::NmrOneD274871Specdb::NmrOneD274872Specdb::NmrOneD274873Specdb::NmrOneD274874Specdb::NmrOneD274875Specdb::NmrOneD274876Specdb::NmrOneD274877HMDB36610#<Reference:0x00005556732a7000>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390beefycheesecoffeemintyspicysulfurous