Methyl 3-(methylthio)propionate

enlarge

Systematic / IUPAC Name: Methyl 3-methylsulfanylpropanoate

ID: Reference2569

Other Names: 3-(Methylthio)propanoic acid methyl ester;
3-(Methylthio)propionic acid methyl ester;
3-Methylsulfanyl-propionic acid methyl ester;
Methyl β-methiopropionate;
Methyl β-methylmercaptopropionate ; more

Formula: C5H10O2S

Class: Excipients/Additives/Colorants Endogenous Metabolites

Spectral Data

Methyl 3-(methylthio)propionate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/10/2015 7:44:48 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3
InChI Key DMMJVMYCBULSIS-UHFFFAOYSA-N
Canonical SMILES COC(=O)CCSC
CAS 13532188
Splash
Other Names 3-(Methylthio)propanoic acid methyl ester;
3-(Methylthio)propionic acid methyl ester;
3-Methylsulfanyl-propionic acid methyl ester;
Methyl β-methiopropionate;
Methyl β-methylmercaptopropionate;
Methyl β-methylthiopropionate;
Methyl 3-(methylmercapto)propionate;
Methyl 3-(methylsulfanyl)propanoate;
Methyl 3-methylthiopropanoate;
Methyl 3-methylthiopropionate;
Propanoic acid, 3-(methylthio)-, methyl ester

In Other Databases

PubChem 61641
HMDb HMDB34377
ChEMBL CHEMBL119603
ChemIDPlus 013532188
ChemSpider 55549