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CAS 13996-06-0

:

4-MERCAPTO-2,6-DIMETHYLPYRIMIDINE-5-CARBONITRILE

Description:
4-Mercapto-2,6-dimethylpyrimidine-5-carbonitrile is an organic compound characterized by its pyrimidine ring structure, which features a thiol (-SH) group and a cyano (-CN) group. This compound is notable for its potential applications in pharmaceuticals and agrochemicals due to the presence of the mercapto group, which can participate in various chemical reactions, including nucleophilic substitutions and metal coordination. The dimethyl substitutions at the 2 and 6 positions of the pyrimidine ring contribute to its steric and electronic properties, influencing its reactivity and solubility. The carbonitrile group enhances the compound's polarity and can serve as a functional handle for further chemical modifications. In terms of safety, like many thiol-containing compounds, it may have a strong odor and can be sensitive to air and moisture, necessitating careful handling and storage. Overall, 4-mercapto-2,6-dimethylpyrimidine-5-carbonitrile is a versatile compound with significant potential in synthetic chemistry and material science.
Formula:C7H7N3S
InChI:InChI=1S/C7H7N3S/c1-4-6(3-8)7(11)10-5(2)9-4/h1-2H3,(H,9,10,11)
InChI key:InChIKey=YAXNUNPVFSHBEQ-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C)NC(C)=NC1=S
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