1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:16 UTC FDB019742 Ethyl 3-[(2-furanylmethyl)thio]propanoate Flavouring ingredient with roasted, nutty-coffee taste at 10ppm Ethyl 3-((2-furanylmethyl)thio)propanoate Ethyl 3-(furfurylthio)propionate Ethyl beta-furfuryl-alpha-thiopropionate FEMA 3674 Propanoic acid, 3-((2-furanylmethyl)thio)-, ethyl ester Propanoic acid, 3-[(2-furanylmethyl)thio]-, ethyl ester C10H14O3S 214.281 214.066365004 ethyl 3-[(furan-2-ylmethyl)sulfanyl]propanoate ethyl 3-[(furan-2-ylmethyl)sulfanyl]propanoate 94278-27-0 CCOC(=O)CCSCC1=CC=CO1 InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3 ZKCVVCLCYIXCOD-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 Carbonyl compounds Carboxylic acid esters Dialkylthioethers Furans Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Sulfenyl compounds Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkylthioether Furan Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Sulfenyl compound Thioether logp 2.40 ALOGPS logs -3.28 ALOGPS solubility 1.13e-01 g/l ALOGPS logp 1.86 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac ethyl 3-[(furan-2-ylmethyl)sulfanyl]propanoate ChemAxon average_mass 214.281 ChemAxon mono_mass 214.066365004 ChemAxon smiles CCOC(=O)CCSCC1=CC=CO1 ChemAxon formula C10H14O3S ChemAxon inchi InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3 ChemAxon inchikey ZKCVVCLCYIXCOD-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 56.45 ChemAxon polarizability 23.35 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26057 Specdb::CMs 167261 Specdb::MsMs 108873 Specdb::MsMs 108874 Specdb::MsMs 108875 Specdb::MsMs 176190 Specdb::MsMs 176191 Specdb::MsMs 176192 Specdb::MsMs 2723247 Specdb::MsMs 2723248 Specdb::MsMs 2723249 Specdb::MsMs 2955729 Specdb::MsMs 2955730 Specdb::MsMs 2955731 HMDB40055 #<Reference:0x00005612713ee688> animal coffee garlic onion sulfur vegetable