1.02010-04-08 22:11:36 UTC2015-07-20 23:14:02 UTCFDB0150352-[(Isopropylthio)methyl]furanFlavouring ingredient2-[[(1-Methylethyl)thio]methyl]furan2-[[(1-Methylethyl)thio]methyl]furan, 9CI2-Furylmethyl isopropyl sulfideFEMA 3161Furfuryl isopropyl sulfideC8H12OS156.245156.0608856962-[(propan-2-ylsulfanyl)methyl]furan2-[(isopropylsulfanyl)methyl]furan1883-78-9CC(C)SCC1=CC=CO1InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3WCHRNAKORAINOJ-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 compoundsOrganic compoundsOrganoheterocyclic compoundsHeteroaromatic compoundsAromatic heteromonocyclic compoundsDialkylthioethersFuransHydrocarbon derivativesOrganooxygen compoundsOxacyclic compoundsSulfenyl compoundsAromatic heteromonocyclic compoundDialkylthioetherFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundOxacycleSulfenyl compoundThioetherlogp3.19logs-3.15solubility1.10e-01 g/llogp2.31pka_strongest_basic-3.3iupac2-[(propan-2-ylsulfanyl)methyl]furanaverage_mass156.245mono_mass156.060885696smilesCC(C)SCC1=CC=CO1formulaC8H12OSinchiInChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3inchikeyWCHRNAKORAINOJ-UHFFFAOYSA-Npolar_surface_area13.14refractivity45.36polarizability17.89rotatable_bond_count3acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs17633Specdb::CMs29423Specdb::CMs101791Specdb::CMs153522Specdb::MsIr7160Specdb::MsIr7161Specdb::MsMs42825Specdb::MsMs42826Specdb::MsMs42827Specdb::MsMs168801Specdb::MsMs168802Specdb::MsMs168803Specdb::MsMs2262469Specdb::MsMs2262470Specdb::MsMs2262471Specdb::MsMs3079767Specdb::MsMs3079768Specdb::MsMs3079769HMDB36181#<Reference:0x0000555673310c08>coffeefloralmeatysavory