1.0 2010-04-08 22:14:43 UTC 2019-11-26 03:18:13 UTC FDB019980 Ethyl 2-(methylthio)acetate Found in melon, durian and other fruits. Flavouring agent (methylthio)acetic acid ethyl ester Acetic acid, (methylthio)-, ethyl ester Ethyl (methylsulfanyl)acetate Ethyl (methylthio)acetate Ethyl 2-(methylthio)-acetate Ethyl 2-(methylthio)acetate Ethyl alpha-(methylthio)acetate Ethyl alpha(methylthio)acetate FEMA 3835 Methylsulfanyl-acetic acid ethyl ester Methylthioacetic acid ethyl ester C5H10O2S 134.197 134.040150254 ethyl 2-(methylsulfanyl)acetate ethyl 2-(methylsulfanyl)acetate 4455-13-4 CCOC(=O)CSC InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3 MDIAKIHKBBNYHF-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 Carbonyl compounds Dialkylthioethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Sulfenyl compounds Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Dialkylthioether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Thioether logp 1.00 ALOGPS logs -0.98 ALOGPS solubility 1.40e+01 g/l ALOGPS logp 0.89 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac ethyl 2-(methylsulfanyl)acetate ChemAxon average_mass 134.197 ChemAxon mono_mass 134.040150254 ChemAxon smiles CCOC(=O)CSC ChemAxon formula C5H10O2S ChemAxon inchi InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3 ChemAxon inchikey MDIAKIHKBBNYHF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 34.64 ChemAxon polarizability 14.3 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2577 Specdb::CMs 151318 Specdb::MsIr 8865 Specdb::MsIr 8866 Specdb::MsMs 61362 Specdb::MsMs 61363 Specdb::MsMs 61364 Specdb::MsMs 117885 Specdb::MsMs 117886 Specdb::MsMs 117887 Specdb::MsMs 2752120 Specdb::MsMs 2752121 Specdb::MsMs 2752122 Specdb::MsMs 2929380 Specdb::MsMs 2929381 Specdb::MsMs 2929382 Specdb::NmrOneD 39422 Specdb::NmrOneD 39423 Specdb::NmrOneD 39424 Specdb::NmrOneD 39425 Specdb::NmrOneD 39426 Specdb::NmrOneD 39427 Specdb::NmrOneD 39428 Specdb::NmrOneD 39429 Specdb::NmrOneD 39430 Specdb::NmrOneD 39431 Specdb::NmrOneD 39432 Specdb::NmrOneD 39433 Specdb::NmrOneD 39434 Specdb::NmrOneD 39435 Specdb::NmrOneD 39436 Specdb::NmrOneD 39437 Specdb::NmrOneD 39438 Specdb::NmrOneD 39439 Specdb::NmrOneD 39440 Specdb::NmrOneD 39441 HMDB40263 #<Reference:0x000055ce3234da68> Fruits Unknown generic Muskmelon Type 1 specific Cucumis melo 3656 apricot citrus earthy fatty floral fruity green herbaceous meaty nutty spicy vegetable wine_like woody