1.0 2010-04-08 22:12:43 UTC 2015-07-20 23:33:54 UTC FDB016903 Methyl 2-thiofuroate Flavouring ingredient with a fried, cooked onion odour 2-Furancarbothioic acid, S-methyl ester 2-Furoic acid, thio-, S-methyl ester FEMA 3311 Methyl 2-thiofuroate Methyl thio-2-furoate Methyl thiofuroate Methylthiol furoate S-Methyl 2-furancarbothioate S-Methyl thio-2-furoate S-methyl thiofuroate C6H6O2S 142.176 142.008850126 furan-2-yl(methylsulfanyl)methanone furan-2-yl(methylsulfanyl)methanone 13679-61-3 CSC(=O)C1=CC=CO1 InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3 ISKUAGFDTRLBHG-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 Carbothioic S-esters Carboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Sulfenyl compounds Thioesters Aromatic heteromonocyclic compound 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 0.84 ALOGPS logs -1.52 ALOGPS solubility 4.28e+00 g/l ALOGPS logp 1.79 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac furan-2-yl(methylsulfanyl)methanone ChemAxon average_mass 142.176 ChemAxon mono_mass 142.008850126 ChemAxon smiles CSC(=O)C1=CC=CO1 ChemAxon formula C6H6O2S ChemAxon inchi InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3 ChemAxon inchikey ISKUAGFDTRLBHG-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 36.77 ChemAxon polarizability 14.01 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7652 Specdb::MsIr 7653 Specdb::CMs 13540 Specdb::CMs 169301 Specdb::MsMs 64914 Specdb::MsMs 64915 Specdb::MsMs 64916 Specdb::MsMs 122199 Specdb::MsMs 122200 Specdb::MsMs 122201 Specdb::MsMs 2800447 Specdb::MsMs 2800448 Specdb::MsMs 2800449 Specdb::MsMs 2878580 Specdb::MsMs 2878581 Specdb::MsMs 2878582 Specdb::NmrOneD 22922 Specdb::NmrOneD 22923 Specdb::NmrOneD 22924 Specdb::NmrOneD 22925 Specdb::NmrOneD 22926 Specdb::NmrOneD 22927 Specdb::NmrOneD 22928 Specdb::NmrOneD 22929 Specdb::NmrOneD 22930 Specdb::NmrOneD 22931 Specdb::NmrOneD 22932 Specdb::NmrOneD 22933 Specdb::NmrOneD 22934 Specdb::NmrOneD 22935 Specdb::NmrOneD 22936 Specdb::NmrOneD 22937 Specdb::NmrOneD 22938 Specdb::NmrOneD 22939 Specdb::NmrOneD 22940 Specdb::NmrOneD 22941 HMDB37762 #<Reference:0x000055ce3248b1f0> cooked creamy fried milky onion