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CAS 41840-28-2

:

O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate

Description:
O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate, with the CAS number 41840-28-2, is an organic compound that belongs to the class of thioesters. This substance features a carbonothioate functional group, which is characterized by the presence of a sulfur atom bonded to a carbonyl carbon. The compound has a branched alkyl group (1,1-dimethylethyl) attached to the oxygen atom, contributing to its steric properties. Additionally, it contains a pyrimidine ring substituted with two methyl groups at the 4 and 6 positions, which can influence its biological activity and solubility. The presence of these functional groups suggests potential applications in agricultural chemistry, particularly as a pesticide or herbicide, due to the biological activity often associated with pyrimidine derivatives. The compound's stability, reactivity, and interactions with other substances can be influenced by its molecular structure, making it of interest in both synthetic and applied chemistry contexts.
Formula:C11H16N2O2S
InChI:InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3
InChI key:InChIKey=POTDIELOEHTPJN-UHFFFAOYSA-N
SMILES:S(C(OC(C)(C)C)=O)C=1N=C(C)C=C(C)N1
Synonyms:
  • 2-(tert-Butoxycarbonylthio)-4,6-dimethylpyrimidine
  • B 1089
  • BOC-S S-Boc-2-mercapto-4,6-dimethylpyrimidine
  • Boc-S
  • Boc-S~S-(tert-Butoxycarbonyl)-2-mercapto-4,6-dimethylpyrimidine
  • Butyldimethylpyrimidinthiolcarbonate
  • Carbonothioic acid, O-(1,1-dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) ester
  • O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate
  • O-tert-butyl S-(4,6-dimethylpyrimidin-2-yl) carbonothioate
  • S-Boc-2-mercapto-4,6-dimethylpyrimidine
  • See more synonyms
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