CAS 64805-64-7

S-(3-Chloro-2-methyl-3-oxopropyl) ethanethioate

Description:

S-(3-Chloro-2-methyl-3-oxopropyl) ethanethioate, identified by its CAS number 64805-64-7, is a chemical compound that features a thioate functional group, which is characterized by the presence of a sulfur atom bonded to an alkyl or aryl group. This compound contains a chloro substituent and a ketone functional group, indicating its potential reactivity and applications in organic synthesis. The presence of the ethyl thioate moiety suggests that it may exhibit properties typical of thioesters, such as susceptibility to nucleophilic attack and involvement in acyl transfer reactions. Additionally, the chlorinated and methylated components of the structure may impart unique chemical behaviors, including increased lipophilicity and potential biological activity. As with many organic compounds, safety and handling precautions should be observed, as the presence of chlorine can indicate toxicity or environmental hazards. Overall, this compound's characteristics make it of interest in various fields, including pharmaceuticals and agrochemicals, where it may serve as an intermediate or active ingredient.

Formula: C₆H₉ClO₂S

InChI: InChI=1S/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3

InChI key: InChIKey=LUDPWTHDXSOXDX-UHFFFAOYSA-N

SMILES: C(CSC(C)=O)(C(Cl)=O)C

Synonyms:

• 2-Methyl-3-(acetylthio)propionyl chloride
• 3-(Acetylthio)-2-methylpropanoyl chloride
• 3-Acetylsulfur-2-Methylpropionyl Chloride
• 3-Acetylthio-2-methylpropanoic acid chloride
• 3-Acetylthio-2-methylpropionyl chloride
• <span class="text-smallcaps">DL</span>-3-Acetylthio-2-methylpropanoyl chloride
• Ethanethioic acid, S-(3-chloro-2-methyl-3-oxopropyl) ester
• S-(3-Chloro-2-methyl-3-oxopropyl) (1)ethanethioate
• DL-3-Acetylthio-2-methylpropanoyl chloride
• S-(3-Chloro-2-methyl-3-oxopropyl) ethanethioate
• S-(3-Chloro-2-methyl-3-oxopropyl) ethanethioate

rac-3-Acetylthio-2-methylpropionyl Chloride-d5

Controlled Product

CAS: 64805-64-7

Applications rac-3-Acetylthio-2-methylpropionyl Chloride-d5 is deuterated version of (2R)-3-Acetylthio-2-methylpropionyl Chloride (A188675), which is a reactant used in the preparation of Captopril (C175750) and its analogs as inhibitors of angiotensin converting enzyme.
References Rubin, B., et al.: Eur. J Pharmacol., 51, 377 (1978); Hanessian, S., et al.: Bioorg. Med. Chem. Lett., 8, 2123 (1998);

Formula: C₆D₅H₄ClO₂S

Color and Shape: Neat

Molecular weight: 185.683

Ref: TR-A188672