1.0 2010-04-08 22:14:21 UTC 2015-07-21 06:35:49 UTC FDB019436 Dihydro-4-mercapto-3(2H)-furanone Component of meat aroma model systems with green, meaty-hydrolysed vegetable aroma 4-Mercapto-3-oxotetrahydrofuran C4H6O2S 118.154 118.008850126 4-sulfanyloxolan-3-one 4-sulfanyloxolan-3-one 56078-98-9 SC1COCC1=O InChI=1S/C4H6O2S/c5-3-1-6-2-4(3)7/h4,7H,1-2H2 CBMFNAVNFZNJMZ-UHFFFAOYSA-N belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Furanones Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteromonocyclic compounds Alkylthiols Cyclic ketones Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans 3-furanone Aliphatic heteromonocyclic compound Alkylthiol Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Tetrahydrofuran logp 0.35 ALOGPS logs -0.79 ALOGPS solubility 1.91e+01 g/l ALOGPS logp 0.2 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4-sulfanyloxolan-3-one ChemAxon average_mass 118.154 ChemAxon mono_mass 118.008850126 ChemAxon smiles SC1COCC1=O ChemAxon formula C4H6O2S ChemAxon inchi InChI=1S/C4H6O2S/c5-3-1-6-2-4(3)7/h4,7H,1-2H2 ChemAxon inchikey CBMFNAVNFZNJMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 28.25 ChemAxon polarizability 10.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12323 Specdb::CMs 132903 Specdb::CMs 140637 Specdb::MsMs 62520 Specdb::MsMs 62521 Specdb::MsMs 62522 Specdb::MsMs 119265 Specdb::MsMs 119266 Specdb::MsMs 119267 Specdb::MsMs 2796797 Specdb::MsMs 2796798 Specdb::MsMs 2796799 Specdb::MsMs 2881358 Specdb::MsMs 2881359 Specdb::MsMs 2881360 Specdb::MsIr 8311 Specdb::MsIr 8312 Specdb::MsIr 8313 Specdb::NmrOneD 35922 Specdb::NmrOneD 35923 Specdb::NmrOneD 35924 Specdb::NmrOneD 35925 Specdb::NmrOneD 35926 Specdb::NmrOneD 35927 Specdb::NmrOneD 35928 Specdb::NmrOneD 35929 Specdb::NmrOneD 35930 Specdb::NmrOneD 35931 Specdb::NmrOneD 35932 Specdb::NmrOneD 35933 Specdb::NmrOneD 35934 Specdb::NmrOneD 35935 Specdb::NmrOneD 35936 Specdb::NmrOneD 35937 Specdb::NmrOneD 35938 Specdb::NmrOneD 35939 Specdb::NmrOneD 35940 Specdb::NmrOneD 35941 HMDB39786 #<Reference:0x000055ce315b7728>