1.0 2010-04-08 22:14:12 UTC 2015-07-21 06:34:07 UTC FDB019210 S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate Flavouring agent with hydrolysed vegetable-type aroma and flavour 2-Furancarbothioic acid, S-(2,5-dimethyl-3-furanyl) ester 2,5-Dimethyl-3-(2-thiofuroyl)furan 2,5-Dimethyl-3-thiofuroylfuran 3-(2-Furoylthio)-2,5-dimethylfuran 3(2-furoylthio)-2,5-dimethylfuran S-(2,5-Dimethyl-3-furyl) thio-2-furoate C11H10O3S 222.26 222.035064876 [(2,5-dimethylfuran-3-yl)sulfanyl](furan-2-yl)methanone [(2,5-dimethylfuran-3-yl)sulfanyl](furan-2-yl)methanone 55764-31-3 CC1=CC(SC(=O)C2=CC=CO2)=C(C)O1 InChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3 IHJDHYVSIRCWIT-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acid and derivatives. These are aromatic heterocyclic compounds containing a furan ring, which carries a carboxyl group or a derivative thereof. Furoic acid and derivatives Organic compounds Organoheterocyclic compounds Furans Furoic acid and derivatives Aromatic heteromonocyclic compounds Aryl thioethers Carbothioic S-esters Carboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Sulfenyl compounds Thioesters Aromatic heteromonocyclic compound Aryl thioether Carbothioic s-ester Carboxylic acid derivative Furoic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives logp 2.61 ALOGPS logs -3.58 ALOGPS solubility 5.88e-02 g/l ALOGPS logp 2.71 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac [(2,5-dimethylfuran-3-yl)sulfanyl](furan-2-yl)methanone ChemAxon average_mass 222.26 ChemAxon mono_mass 222.035064876 ChemAxon smiles CC1=CC(SC(=O)C2=CC=CO2)=C(C)O1 ChemAxon formula C11H10O3S ChemAxon inchi InChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3 ChemAxon inchikey IHJDHYVSIRCWIT-UHFFFAOYSA-N ChemAxon polar_surface_area 43.35 ChemAxon refractivity 59.51 ChemAxon polarizability 23.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14254 Specdb::CMs 154632 Specdb::MsMs 57279 Specdb::MsMs 57280 Specdb::MsMs 57281 Specdb::MsMs 112911 Specdb::MsMs 112912 Specdb::MsMs 112913 Specdb::MsMs 2828938 Specdb::MsMs 2828939 Specdb::MsMs 2828940 Specdb::MsMs 2853484 Specdb::MsMs 2853485 Specdb::MsMs 2853486 HMDB39585 #<Reference:0x000055ce318842d0> vegetable