1.0 2010-04-08 22:09:57 UTC 2019-11-26 03:06:01 UTC FDB012037 S-Propyl thioacetate Flavouring ingredient Acetic acid, thio-, s-propyl ester Ethanethioic acid, s-propyl ester FEMA 3385 N-propyl thio acetate Propyl thioacetate Propyl thiolacetate S-n-propylthioacetate S-propyl ethanethioate S-Propyl thioacetate C5H10OS 118.197 118.045235632 1-(propylsulfanyl)ethan-1-one 1-(propylsulfanyl)ethanone 2307-10-0 CCCSC(C)=O InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3 SBWFWBJCYMBZEY-UHFFFAOYSA-N belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S). Thioesters Organic compounds Organic acids and derivatives Thiocarboxylic acids and derivatives Thioesters Aliphatic acyclic compounds Carbonyl compounds Carbothioic S-esters Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Sulfenyl compounds Aliphatic acyclic compound Carbonyl group Carbothioic s-ester Carboxylic acid derivative Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Thiocarboxylic acid ester logp 1.74 ALOGPS logs -1.35 ALOGPS solubility 5.32e+00 g/l ALOGPS logp 1.45 ChemAxon pka_strongest_basic -6 ChemAxon iupac 1-(propylsulfanyl)ethan-1-one ChemAxon average_mass 118.197 ChemAxon mono_mass 118.045235632 ChemAxon smiles CCCSC(C)=O ChemAxon formula C5H10OS ChemAxon inchi InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3 ChemAxon inchikey SBWFWBJCYMBZEY-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 33.03 ChemAxon polarizability 13.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24124 Specdb::CMs 29443 Specdb::CMs 101425 Specdb::CMs 174281 Specdb::MsIr 6311 Specdb::MsIr 6312 Specdb::NmrOneD 123318 Specdb::NmrOneD 123319 Specdb::NmrOneD 123320 Specdb::NmrOneD 123321 Specdb::NmrOneD 123322 Specdb::NmrOneD 123323 Specdb::NmrOneD 123324 Specdb::NmrOneD 123325 Specdb::NmrOneD 123326 Specdb::NmrOneD 123327 Specdb::NmrOneD 123328 Specdb::NmrOneD 123329 Specdb::NmrOneD 123330 Specdb::NmrOneD 123331 Specdb::NmrOneD 123332 Specdb::NmrOneD 123333 Specdb::NmrOneD 123334 Specdb::NmrOneD 123335 Specdb::NmrOneD 123336 Specdb::NmrOneD 123337 Specdb::MsMs 61866 Specdb::MsMs 61867 Specdb::MsMs 61868 Specdb::MsMs 118488 Specdb::MsMs 118489 Specdb::MsMs 118490 Specdb::MsMs 2794913 Specdb::MsMs 2794914 Specdb::MsMs 2794915 Specdb::MsMs 2884634 Specdb::MsMs 2884635 Specdb::MsMs 2884636 HMDB33856 #<Reference:0x000055ce305b7a08> Garden onion Type 1 specific Allium cepa 4679 garlic green onion sulfurous