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CAS 4160-61-6

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Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

Description:
Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate, identified by its CAS number 4160-61-6, is a chemical compound characterized by its unique structure that includes a thiopyran ring. This compound features a carbonyl group (ketone) and a carboxylate ester functional group, which contribute to its reactivity and potential applications in organic synthesis. The presence of the thiopyran ring imparts specific stereochemical properties, influencing its interactions and reactivity with other chemical species. Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents, which makes it useful in various chemical reactions, including esterification and cyclization processes. This compound may also exhibit biological activity, making it of interest in medicinal chemistry and drug development. However, as with many chemical substances, proper handling and safety precautions are essential due to potential toxicity or reactivity.
Formula:C7H10O3S
InChI:InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChI key:InChIKey=MCUXKFHPGMEIIW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1C(=O)CCSC1
Synonyms:
  • 3-(Carbomethoxy)tetrahydrothiopyran-4-one
  • Thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester
  • 3-Carbomethoxytetrahydro-1,4-thiapyrone
  • Methyl tetrahydrothiopyran-4-one-3-carboxylate
  • 2H-Thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester
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