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CAS 1005206-26-7

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B-[4-[[(2-Cyanophenyl)methyl]thio]phenyl]boronic acid

Description:
B-[4-[[(2-Cyanophenyl)methyl]thio]phenyl]boronic acid, identified by its CAS number 1005206-26-7, is a boronic acid derivative characterized by the presence of a boron atom bonded to a phenyl group and a thiomethyl substituent. This compound features a cyanophenyl moiety, which contributes to its electronic properties and potential reactivity. Boronic acids are known for their ability to form reversible covalent bonds with diols, making them valuable in various applications, including organic synthesis, medicinal chemistry, and materials science. The presence of the thiomethyl group may enhance its solubility and reactivity, while the cyanophenyl group can influence its electronic characteristics and interactions with biological targets. Overall, this compound is of interest for its potential applications in drug development and as a building block in organic synthesis, particularly in the formation of complex molecular architectures. Its unique structural features may also allow for specific interactions in biological systems, making it a candidate for further research in medicinal chemistry.
Formula:C14H12BNO2S
InChI:InChI=1S/C14H12BNO2S/c16-9-11-3-1-2-4-12(11)10-19-14-7-5-13(6-8-14)15(17)18/h1-8,17-18H,10H2
InChI key:InChIKey=XBRZANREDPJZQD-UHFFFAOYSA-N
SMILES:C(SC1=CC=C(B(O)O)C=C1)C2=C(C#N)C=CC=C2
Synonyms:
  • [4-[(2-Cyanobenzyl)thio]phenyl]boronic acid
  • B-[4-[[(2-Cyanophenyl)methyl]thio]phenyl]boronic acid
  • Boronic acid, B-[4-[[(2-cyanophenyl)methyl]thio]phenyl]-
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