1.0 2010-04-08 22:14:49 UTC 2015-07-21 06:42:49 UTC FDB020142 Ethyl 3-mercaptopropanoic acid Flavouring ingredient Ethyl 3-mercaptopropionate Ethyl 3-sulfanylpropanoate FEMA 3677 Gabitril N-(4,4-Di(3-methylthien-2-yl)but-3-enyl)nipecotic acid Tiagabine Tiagabine, (S)-isomer C5H10O2S 134.197 134.040150254 ethyl 3-sulfanylpropanoate ethyl 3-sulfanylpropanoate 5466-06-8 CCOC(=O)CCS InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3 CJQWLNNCQIHKHP-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Alkylthiols Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alkylthiol Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound logp 1.30 ALOGPS logs -1.32 ALOGPS solubility 6.36e+00 g/l ALOGPS logp 0.95 ChemAxon pka_strongest_acidic 10.11 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl 3-sulfanylpropanoate ChemAxon average_mass 134.197 ChemAxon mono_mass 134.040150254 ChemAxon smiles CCOC(=O)CCS ChemAxon formula C5H10O2S ChemAxon inchi InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3 ChemAxon inchikey CJQWLNNCQIHKHP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 34.59 ChemAxon polarizability 14.32 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21798 Specdb::CMs 162823 Specdb::MsIr 8942 Specdb::MsIr 8943 Specdb::MsIr 8944 Specdb::NmrOneD 40262 Specdb::NmrOneD 40263 Specdb::NmrOneD 40264 Specdb::NmrOneD 40265 Specdb::NmrOneD 40266 Specdb::NmrOneD 40267 Specdb::NmrOneD 40268 Specdb::NmrOneD 40269 Specdb::NmrOneD 40270 Specdb::NmrOneD 40271 Specdb::NmrOneD 40272 Specdb::NmrOneD 40273 Specdb::NmrOneD 40274 Specdb::NmrOneD 40275 Specdb::NmrOneD 40276 Specdb::NmrOneD 40277 Specdb::NmrOneD 40278 Specdb::NmrOneD 40279 Specdb::NmrOneD 40280 Specdb::NmrOneD 40281 Specdb::MsMs 77883 Specdb::MsMs 77884 Specdb::MsMs 77885 Specdb::MsMs 138114 Specdb::MsMs 138115 Specdb::MsMs 138116 Specdb::MsMs 2710376 Specdb::MsMs 2710377 Specdb::MsMs 2710378 Specdb::MsMs 2994941 Specdb::MsMs 2994942 Specdb::MsMs 2994943 HMDB40410 #<Reference:0x000055ce2f6d6020> meaty skunk