1.02011-09-26 22:53:29 UTC2015-07-21 06:59:55 UTCFDB0296462-methyl-4,5-dihydro-3-furanthiolFlavouring compound [Flavornet]C5H8OS116.181116.0295855682-methyl-4,5-dihydrofuran-3-thiol2-methyl-4,5-dihydrofuran-3-thiol26486-13-5CC1=C(S)CCO1InChI=1S/C5H8OS/c1-4-5(7)2-3-6-4/h7H,2-3H2,1H3IHRSRTFITLMUQC-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydrofurans. Dihydrofurans are compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond.DihydrofuransOrganic compoundsOrganoheterocyclic compoundsDihydrofuransAliphatic heteromonocyclic compoundsAlkylthiolsHydrocarbon derivativesOrganooxygen compoundsOxacyclic compoundsThioenolsAliphatic heteromonocyclic compoundAlkylthiolDihydrofuranHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundOxacycleThioenollogp1.41logs-1.10solubility9.25e+00 g/llogp0.23pka_strongest_acidic7.84pka_strongest_basic-4.8iupac2-methyl-4,5-dihydrofuran-3-thiolaverage_mass116.181mono_mass116.029585568smilesCC1=C(S)CCO1formulaC5H8OSinchiInChI=1S/C5H8OS/c1-4-5(7)2-3-6-4/h7H,2-3H2,1H3inchikeyIHRSRTFITLMUQC-UHFFFAOYSA-Npolar_surface_area9.23refractivity34.6polarizability12.33rotatable_bond_count0acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs12655Specdb::CMs161053Specdb::MsIr9014Specdb::MsIr9015Specdb::MsIr9016Specdb::NmrOneD42082Specdb::NmrOneD42083Specdb::NmrOneD42084Specdb::NmrOneD42085Specdb::NmrOneD42086Specdb::NmrOneD42087Specdb::NmrOneD42088Specdb::NmrOneD42089Specdb::NmrOneD42090Specdb::NmrOneD42091Specdb::NmrOneD42092Specdb::NmrOneD42093Specdb::NmrOneD42094Specdb::NmrOneD42095Specdb::NmrOneD42096Specdb::NmrOneD42097Specdb::NmrOneD42098Specdb::NmrOneD42099Specdb::NmrOneD42100Specdb::NmrOneD42101Specdb::MsMs46494Specdb::MsMs46495Specdb::MsMs46496Specdb::MsMs117099Specdb::MsMs117100Specdb::MsMs117101Specdb::MsMs2792609Specdb::MsMs2792610Specdb::MsMs2792611Specdb::MsMs2916191Specdb::MsMs2916192Specdb::MsMs2916193meatmeatyroastedsavorysulfurous