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CAS 53440-32-7

:

2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol

Description:
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol, with the CAS number 53440-32-7, is an organic compound characterized by the presence of both a tetrahydropyrimidine ring and a thiol group attached to a benzene ring. This compound typically exhibits a molecular structure that allows for potential hydrogen bonding due to the thiol (-SH) functional group, which can also participate in redox reactions. The tetrahydropyrimidine moiety contributes to its cyclic structure, potentially influencing its reactivity and stability. The presence of the aromatic benzene ring can enhance the compound's lipophilicity, affecting its solubility in organic solvents. Additionally, the compound may exhibit biological activity, making it of interest in medicinal chemistry. Its properties, such as melting point, boiling point, and solubility, would depend on the specific conditions and purity of the sample. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals and organic synthesis.
Formula:C10H12N2S
InChI:InChI=1S/C10H12N2S/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
InChI key:InChIKey=DUHDUYRXLGSMLQ-UHFFFAOYSA-N
SMILES:SC1=C(C=2NCCCN2)C=CC=C1
Synonyms:
  • 1,4,5,6-Tetrahydro-2-(o-mercaptophenyl)pyrimidine
  • 2-(1,4,5,6-Tetrahydro-2-pyrimidinyl)benzenethiol
  • 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzene-1-thiol
  • 2-(2-Mercaptophenyl)-1,4,5,6-tetrahydropyrimidine
  • 2-(2-Mercaptophenyl)-3,4,5,6-tetrahydropyrimidine
  • Benzenethiol, 2-(1,4,5,6-Tetrahydro-2-Pyrimidinyl)-
  • Cct 00431
  • 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
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