1.0 2010-04-08 22:11:13 UTC 2018-05-29 01:11:23 UTC FDB014356 Methyl 2-(methylthio)acetate It is used as a food additive (Methylthio)acetic acid Acetic acid, (methylthio)-, methyl ester Methyl (methylithio)acetate Methyl (methylmercapto)acetate Methyl (methylsulfanyl)acetate Methyl (methylthio)acetate Methyl 2-(methylthio)acetate Methyl methylthioacetate Methyl s-methylthioglycolate S-Methylthioglycolate C4H8O2S 120.17 120.02450019 methyl 2-(methylsulfanyl)acetate methyl 2-(methylsulfanyl)acetate 16630-66-3 COC(=O)CSC InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3 HZYCAKGEXXKCDM-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. Methyl 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 Dialkylthioether Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Thioether logp 0.38 ALOGPS logs -0.71 ALOGPS solubility 2.33e+01 g/l ALOGPS logp 0.54 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac methyl 2-(methylsulfanyl)acetate ChemAxon average_mass 120.17 ChemAxon mono_mass 120.02450019 ChemAxon smiles COC(=O)CSC ChemAxon formula C4H8O2S ChemAxon inchi InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3 ChemAxon inchikey HZYCAKGEXXKCDM-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 29.89 ChemAxon polarizability 12.28 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12463 Specdb::CMs 137949 Specdb::CMs 145683 Specdb::MsIr 6953 Specdb::MsIr 6954 Specdb::MsMs 96975 Specdb::MsMs 96976 Specdb::MsMs 96977 Specdb::MsMs 161592 Specdb::MsMs 161593 Specdb::MsMs 161594 Specdb::MsMs 2326884 Specdb::MsMs 2326885 Specdb::MsMs 2326886 Specdb::MsMs 2611789 Specdb::MsMs 2611790 Specdb::MsMs 2611791 Specdb::NmrOneD 132278 Specdb::NmrOneD 132279 Specdb::NmrOneD 132280 Specdb::NmrOneD 132281 Specdb::NmrOneD 132282 Specdb::NmrOneD 132283 Specdb::NmrOneD 132284 Specdb::NmrOneD 132285 Specdb::NmrOneD 132286 Specdb::NmrOneD 132287 Specdb::NmrOneD 132288 Specdb::NmrOneD 132289 Specdb::NmrOneD 132290 Specdb::NmrOneD 132291 Specdb::NmrOneD 132292 Specdb::NmrOneD 132293 Specdb::NmrOneD 132294 Specdb::NmrOneD 132295 Specdb::NmrOneD 132296 Specdb::NmrOneD 132297 HMDB35646 47870 #<Reference:0x000055ce30ce1798> cooked cooked potato cookedpotato fruity nut potato roasted roasted nut roastednut tropical