1.02010-04-08 22:14:43 UTC2019-11-26 03:18:13 UTCFDB019980Ethyl 2-(methylthio)acetateFound in melon, durian and other fruits. Flavouring agent(methylthio)acetic acid ethyl esterAcetic acid, (methylthio)-, ethyl esterEthyl (methylsulfanyl)acetateEthyl (methylthio)acetateEthyl 2-(methylthio)-acetateEthyl 2-(methylthio)acetateEthyl alpha-(methylthio)acetateEthyl alpha(methylthio)acetateFEMA 3835Methylsulfanyl-acetic acid ethyl esterMethylthioacetic acid ethyl esterC5H10O2S134.197134.040150254ethyl 2-(methylsulfanyl)acetateethyl 2-(methylsulfanyl)acetate4455-13-4CCOC(=O)CSCInChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3MDIAKIHKBBNYHF-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 estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic acyclic compoundsCarbonyl compoundsDialkylthioethersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesSulfenyl compoundsAliphatic acyclic compoundCarbonyl groupCarboxylic acid esterDialkylthioetherHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundSulfenyl compoundThioetherlogp1.00logs-0.98solubility1.40e+01 g/llogp0.89pka_strongest_basic-7.2iupacethyl 2-(methylsulfanyl)acetateaverage_mass134.197mono_mass134.040150254smilesCCOC(=O)CSCformulaC5H10O2SinchiInChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3inchikeyMDIAKIHKBBNYHF-UHFFFAOYSA-Npolar_surface_area26.3refractivity34.64polarizability14.3rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr8865Specdb::MsIr8866Specdb::CMs2577Specdb::CMs151318Specdb::NmrOneD39422Specdb::NmrOneD39423Specdb::NmrOneD39424Specdb::NmrOneD39425Specdb::NmrOneD39426Specdb::NmrOneD39427Specdb::NmrOneD39428Specdb::NmrOneD39429Specdb::NmrOneD39430Specdb::NmrOneD39431Specdb::NmrOneD39432Specdb::NmrOneD39433Specdb::NmrOneD39434Specdb::NmrOneD39435Specdb::NmrOneD39436Specdb::NmrOneD39437Specdb::NmrOneD39438Specdb::NmrOneD39439Specdb::NmrOneD39440Specdb::NmrOneD39441Specdb::MsMs61362Specdb::MsMs61363Specdb::MsMs61364Specdb::MsMs117885Specdb::MsMs117886Specdb::MsMs117887Specdb::MsMs2752120Specdb::MsMs2752121Specdb::MsMs2752122Specdb::MsMs2929380Specdb::MsMs2929381Specdb::MsMs2929382HMDB40263#<Reference:0x00005556758b3bb8>FruitsUnknowngenericMuskmelonType 1specificCucumis melo3656apricotcitrusearthyfattyfloralfruitygreenherbaceousmeatynuttyspicyvegetablewine_likewoody