1.0 2010-04-08 22:12:44 UTC 2015-07-20 23:34:05 UTC FDB016930 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Synthetic meat flavouring agent. Food flavour, not reported to occur in nature 2-Methyl-3-(thioacetoxy)-4,5-dihydrofuran 2-Methyl-3-thioacetoxy-4,5-dihydrofuran 2-Methyl-4,5-dihydro-3-furanthiol acetate 3-Furanthiol, 4,5-dihydro-2-methyl-, acetate 4,5-Dihydro-2-methyl-3-furanthiyl acetate Acetic acid, thio-, S-(4,5-dihydro-2-methyl-3-furyl) ester Ethanethioic acid, S-(4,5-dihydro-2-methyl-3-furanyl) ester FEMA 3636 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate, 9CI S-(4,5-Dihydro-2-methyl-3-furyl) ethanethioate S-(4,5-Dihydro-2-methyl-3-furyl) thioacetate C7H10O2S 158.218 158.040150254 1-[(2-methyl-4,5-dihydrofuran-3-yl)sulfanyl]ethan-1-one 1-[(2-methyl-4,5-dihydrofuran-3-yl)sulfanyl]ethanone 26486-14-6 CC(=O)SC1=C(C)OCC1 InChI=1S/C7H10O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H2,1-2H3 YDYAMYYOQBGPRX-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydrofurans. Dihydrofurans are compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond. Dihydrofurans Organic compounds Organoheterocyclic compounds Dihydrofurans Aliphatic heteromonocyclic compounds Carbonyl compounds Carbothioic S-esters Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Oxacyclic compounds Sulfenyl compounds Thioesters Aliphatic heteromonocyclic compound Carbonyl group Carbothioic s-ester Carboxylic acid derivative Dihydrofuran Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives logp 1.30 ALOGPS logs -1.18 ALOGPS solubility 1.05e+01 g/l ALOGPS logp 0.069 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 1-[(2-methyl-4,5-dihydrofuran-3-yl)sulfanyl]ethan-1-one ChemAxon average_mass 158.218 ChemAxon mono_mass 158.040150254 ChemAxon smiles CC(=O)SC1=C(C)OCC1 ChemAxon formula C7H10O2S ChemAxon inchi InChI=1S/C7H10O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H2,1-2H3 ChemAxon inchikey YDYAMYYOQBGPRX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 44.06 ChemAxon polarizability 16.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20770 Specdb::CMs 137026 Specdb::CMs 144760 Specdb::MsIr 7659 Specdb::MsIr 7660 Specdb::NmrOneD 22942 Specdb::NmrOneD 22943 Specdb::NmrOneD 22944 Specdb::NmrOneD 22945 Specdb::NmrOneD 22946 Specdb::NmrOneD 22947 Specdb::NmrOneD 22948 Specdb::NmrOneD 22949 Specdb::NmrOneD 22950 Specdb::NmrOneD 22951 Specdb::NmrOneD 22952 Specdb::NmrOneD 22953 Specdb::NmrOneD 22954 Specdb::NmrOneD 22955 Specdb::NmrOneD 22956 Specdb::NmrOneD 22957 Specdb::NmrOneD 22958 Specdb::NmrOneD 22959 Specdb::NmrOneD 22960 Specdb::NmrOneD 22961 Specdb::MsMs 73443 Specdb::MsMs 73444 Specdb::MsMs 73445 Specdb::MsMs 132627 Specdb::MsMs 132628 Specdb::MsMs 132629 Specdb::MsMs 2827308 Specdb::MsMs 2827309 Specdb::MsMs 2827310 Specdb::MsMs 2851588 Specdb::MsMs 2851589 Specdb::MsMs 2851590 HMDB37786 #<Reference:0x000055ce2d043b38> sulfury