3-(Methylthio)butanal

CAS: 16630-52-7

Ref. 3D-FM35579

Product Information

• Name: 3-(Methylthio)butanal
• Synonyms: (3R)-3-(methylsulfanyl)butanal, (3S)-3-(methylsulfanyl)butanal, 2-Methyl-3-(Methylsulfanyl)Propanal, 3-(Methylsulfanyl)Butanal, 3-(Methylthio)Butanal, 3-Methylsulfanylbutanal, 3-Methylsulfanylbutyraldehyde, 3-Methylthiobutanal, Butanal, 3-(methylthio)-, Butyraldehyde, 3-(methylthio)-, β-(Methylthio)butyraldehyde
• CAS: 16630-52-7

Description

3-(Methylthio)butanal is a thiol compound that has been used as a sample preparation for the analysis of monoterpene hydrocarbons. It has also shown to have allosteric modulatory effects on the enzyme brevibacterium. 3-(Methylthio)butanal is an enantiopure, with two stereoisomers: (1S,2S)-methyl-2,3-butanedithiol and (1R,2R)-methyl-2,3-butanedithiol. The two isomers are not easily distinguished by NMR or mass spectroscopy because they are chemically identical and have identical boiling points.

The 1S,2S isomer can be synthesized using a Grignard reaction and reacting with ethyl bromoacetate in ethanol to form methyl (E)-(E)-3-(methylthio)propanoate. The product can then be purified by

• Brand: Biosynth

Chemical properties

• Molecular weight: 118.2 g/mol
• Formula: C₅H₁₀OS
• Purity: Min. 95%
• InChI: InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
• InChI key: InChIKey=NCBDFIPMWRKPDU-UHFFFAOYSA-N
• SMILES: CSC(C)CC=O