CAS 1192814-52-0

4-(4-Chlorophenyl)-6-isothiocyanatopyrimidine

Description:

4-(4-Chlorophenyl)-6-isothiocyanatopyrimidine is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms at positions 1 and 3. The presence of a 4-chlorophenyl group at the 4-position of the pyrimidine ring contributes to its aromatic properties and potential reactivity. The isothiocyanate functional group at the 6-position is notable for its ability to participate in nucleophilic reactions, making the compound useful in various synthetic applications, particularly in medicinal chemistry and agrochemicals. This compound may exhibit biological activity due to the presence of the isothiocyanate group, which is known for its role in the activity of certain pharmaceuticals and as a bioactive agent. Additionally, the chlorophenyl substituent can influence the compound's solubility, stability, and interaction with biological targets. Overall, 4-(4-Chlorophenyl)-6-isothiocyanatopyrimidine is a versatile compound with potential applications in research and development within the fields of chemistry and pharmacology.

Formula: C₁₁H₆ClN₃S

InChI: InChI=1S/C11H6ClN3S/c12-9-3-1-8(2-4-9)10-5-11(15-7-16)14-6-13-10/h1-6H

InChI key: InChIKey=YKDAOJYJASPGDM-UHFFFAOYSA-N

SMILES: N(=C=S)C1=CC(=NC=N1)C2=CC=C(Cl)C=C2

Synonyms:

• 4-(4-Chlorophenyl)-6-isothiocyanatopyrimidine
• Pyrimidine, 4-(4-chlorophenyl)-6-isothiocyanato-