1.02010-04-08 22:12:41 UTC2015-07-20 23:33:32 UTCFDB016862S-(2-Furanylmethyl) propanethioateFlavouring ingredientFEMA 3347Furfuryl thiopropionateFurfurylthiol propionatePropanethioic acid, S-(2-furanylmethyl) esterS-(2-Furanylmethyl) propanethioateS-(2-furylmethyl) propanethioateS-furfuryl propanethioateS-furfuryl thiopropionateC8H10O2S170.229170.0401502541-[(furan-2-ylmethyl)sulfanyl]propan-1-one1-[(furan-2-ylmethyl)sulfanyl]propan-1-one59020-85-8CCC(=O)SCC1=CC=CO1InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3JNVPDFNCAUOOIT-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 compoundsCarbonyl compoundsCarbothioic S-estersCarboxylic acids and derivativesFuransHydrocarbon derivativesOrganic oxidesOxacyclic compoundsSulfenyl compoundsThioestersAromatic heteromonocyclic compoundCarbonyl groupCarbothioic s-esterCarboxylic acid derivativeFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundOxacycleSulfenyl compoundThiocarboxylic acid esterThiocarboxylic acid or derivativeslogp1.84logs-2.65solubility3.80e-01 g/llogp1.9pka_strongest_basic-3.3iupac1-[(furan-2-ylmethyl)sulfanyl]propan-1-oneaverage_mass170.229mono_mass170.040150254smilesCCC(=O)SCC1=CC=CO1formulaC8H10O2SinchiInChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3inchikeyJNVPDFNCAUOOIT-UHFFFAOYSA-Npolar_surface_area30.21refractivity45.54polarizability18.01rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7639Specdb::MsIr7640Specdb::CMs24075Specdb::CMs158724Specdb::MsMs45915Specdb::MsMs45916Specdb::MsMs45917Specdb::MsMs143379Specdb::MsMs143380Specdb::MsMs143381Specdb::MsMs3055919Specdb::MsMs3055920Specdb::MsMs3055921Specdb::MsMs3110630Specdb::MsMs3110631Specdb::MsMs3110632HMDB37732#<Reference:0x0000555674549aa0>coffeegarliconionsavorysulfurous