1.0 2010-04-08 22:07:56 UTC 2025-11-18 23:07:03 UTC FDB008122 Ethyl 2-mercaptopropanoate Flavouring ingredient Ethyl (±)-2-mercaptopropanoate Ethyl 2-mercaptopropanoate Ethyl 2-mercaptopropionate FEMA 3279 C5H10O2S 134.197 134.040150254 ethyl 2-sulfanylpropanoate ethyl 2-sulfanylpropanoate 66707-26-4 CCOC(=O)C(C)S InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3 LXXNWCFBZHKFPT-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 1.61 ALOGPS logs -1.36 ALOGPS solubility 5.87e+00 g/l ALOGPS logp 1.07 ChemAxon pka_strongest_acidic 9.23 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac ethyl 2-sulfanylpropanoate ChemAxon average_mass 134.197 ChemAxon mono_mass 134.040150254 ChemAxon smiles CCOC(=O)C(C)S ChemAxon formula C5H10O2S ChemAxon inchi InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3 ChemAxon inchikey LXXNWCFBZHKFPT-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 34.48 ChemAxon polarizability 13.87 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25784 Specdb::CMs 137716 Specdb::CMs 145450 Specdb::MsIr 4577 Specdb::MsIr 4578 Specdb::MsIr 4579 Specdb::MsMs 82242 Specdb::MsMs 82243 Specdb::MsMs 82244 Specdb::MsMs 143553 Specdb::MsMs 143554 Specdb::MsMs 143555 Specdb::MsMs 2714278 Specdb::MsMs 2714279 Specdb::MsMs 2714280 Specdb::MsMs 2967105 Specdb::MsMs 2967106 Specdb::MsMs 2967107 Specdb::NmrOneD 19082 Specdb::NmrOneD 19083 Specdb::NmrOneD 19084 Specdb::NmrOneD 19085 Specdb::NmrOneD 19086 Specdb::NmrOneD 19087 Specdb::NmrOneD 19088 Specdb::NmrOneD 19089 Specdb::NmrOneD 19090 Specdb::NmrOneD 19091 Specdb::NmrOneD 19092 Specdb::NmrOneD 19093 Specdb::NmrOneD 19094 Specdb::NmrOneD 19095 Specdb::NmrOneD 19096 Specdb::NmrOneD 19097 Specdb::NmrOneD 19098 Specdb::NmrOneD 19099 Specdb::NmrOneD 19100 Specdb::NmrOneD 19101 HMDB0031521