Infrared and Raman spectra of S-methyl thioacetate: toward an understanding of the biochemical reactivity of esters of coenzyme A.
The infrared and Raman spectra of S-methyl thioacetate and CD3C(O)SCH3 have been determined. These spectra and those in the literature ofr S-ethyl thioacetate have been assigned. These data together with literature assignments for thioformic acid, thioacetic acid, and S-methyl thioformate were used in normal coordinate calculations. The stretching force constant for the carbonyl group of thioesters and thio acids is found to be very similar to that for the carboxyl group of ketones. In addition, the value of the stretching force constant for the C(O)-S bond in thioesters and thio acids indicates that this entity has no double-bond character. The carbonly group of acetyl coenzyme A is essentially the same as that of a ketone.
D000085:Acetates; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman
D000085:Acetates; C026500:methyl thioacetate