CAS 6497-89-8

Pyrimidine, 1,4,5,6-tetrahydro-2-[(phenylmethyl)thio]-, hydrochloride (1:1)

Description:

Pyrimidine, 1,4,5,6-tetrahydro-2-[(phenylmethyl)thio]-, hydrochloride (1:1), with CAS number 6497-89-8, is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a tetrahydro configuration, indicating that it has undergone partial hydrogenation, resulting in a saturated ring system. The presence of a phenylmethylthio group suggests that it has a thioether functional group, which can influence its reactivity and solubility. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in various applications, including pharmaceuticals. The compound may exhibit biological activity, making it of interest in medicinal chemistry. Its properties, such as melting point, solubility, and stability, can vary based on environmental conditions and the presence of other substances. Proper handling and storage are essential due to potential toxicity and reactivity associated with nitrogen-containing heterocycles.

Formula: C₁₁H₁₄N₂S·ClH

InChI: InChI=1S/C11H14N2S.ClH/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11;/h1-3,5-6H,4,7-9H2,(H,12,13);1H

InChI key: InChIKey=COPOVRDUHNODMY-UHFFFAOYSA-N

SMILES: C(SC=1NCCCN1)C2=CC=CC=C2.Cl

Synonyms:

• Pyrimidine, 1,4,5,6-tetrahydro-2-[(phenylmethyl)thio]-, hydrochloride (1:1)
• Pyrimidine, 2-(benzylthio)-1,4,5,6-tetrahydro-, hydrochloride
• 2-(Benzylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydrochloride
• Pyrimidine, 2-(benzylthio)-1,4,5,6-tetrahydro-, monohydrochloride
• Pyrimidine, 1,4,5,6-tetrahydro-2-[(phenylmethyl)thio]-, monohydrochloride