1.0 2010-04-08 22:12:15 UTC 2015-07-20 23:25:54 UTC FDB016136 4-[(2-Methyl-3-furanyl)thio]-5-nonanone Flavouring ingredient 1,3-Dipropylacetonyl 2-methyl-3-furyl sulfide 4-((2-Methyl-3-furanyl)thio)-5-nonanone 4-((2-Methyl-3-furyl)thio)-5-nonanone 4-((2-Methyl-3-furyl)thio)nonan-5-one 5-Nonanone, 4-((2-methyl-3-furanyl)thio)- FEMA 3571 C14H22O2S 254.388 254.134050638 4-[(2-methylfuran-3-yl)sulfanyl]nonan-5-one 4-[(2-methylfuran-3-yl)sulfanyl]nonan-5-one 61295-50-9 CCCCC(=O)C(CCC)SC1=C(C)OC=C1 InChI=1S/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3 PEYZZTQOVLTVHN-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 thioethers Organic compounds Organosulfur compounds Thioethers Aryl thioethers Aromatic heteromonocyclic compounds Alkylarylthioethers Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Sulfenyl compounds Alkylarylthioether Aromatic heteromonocyclic compound Aryl thioether Carbonyl group Furan Heteroaromatic compound Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sulfenyl compound logp 4.67 ALOGPS logs -4.18 ALOGPS solubility 1.69e-02 g/l ALOGPS logp 4.56 ChemAxon pka_strongest_acidic 19.29 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 4-[(2-methylfuran-3-yl)sulfanyl]nonan-5-one ChemAxon average_mass 254.388 ChemAxon mono_mass 254.134050638 ChemAxon smiles CCCCC(=O)C(CCC)SC1=C(C)OC=C1 ChemAxon formula C14H22O2S ChemAxon inchi InChI=1S/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3 ChemAxon inchikey PEYZZTQOVLTVHN-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 73.71 ChemAxon polarizability 29.44 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22149 Specdb::CMs 162159 Specdb::MsMs 102360 Specdb::MsMs 102361 Specdb::MsMs 102362 Specdb::MsMs 168168 Specdb::MsMs 168169 Specdb::MsMs 168170 Specdb::MsMs 2798756 Specdb::MsMs 2798757 Specdb::MsMs 2798758 Specdb::MsMs 2883290 Specdb::MsMs 2883291 Specdb::MsMs 2883292 HMDB37141 #<Reference:0x000055ce335f7538> meaty roasted