CAS 87847-24-3

5-Pyrimidinecarboxylic acid, 2-chloro-4,6-bis(phenylthio)-, methyl ester

Description:

5-Pyrimidinecarboxylic acid, 2-chloro-4,6-bis(phenylthio)-, methyl ester, identified by CAS number 87847-24-3, 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 carboxylic acid functional group, which is esterified with a methyl group, indicating it is a methyl ester. The presence of two phenylthio groups at positions 4 and 6 of the pyrimidine ring contributes to its unique chemical properties, potentially enhancing its reactivity and solubility in organic solvents. The chlorine substituent at position 2 introduces additional reactivity, making it a candidate for various chemical reactions, including nucleophilic substitutions. This compound may be of interest in pharmaceutical research or organic synthesis due to its structural features, which can influence biological activity and interactions with other molecules. As with many chemical substances, safety and handling precautions should be observed, given the potential hazards associated with its components.

Formula: C₁₈H₁₃ClN₂O₂S₂

InChI: InChI=1S/C18H13ClN2O2S2/c1-23-17(22)14-15(24-12-8-4-2-5-9-12)20-18(19)21-16(14)25-13-10-6-3-7-11-13/h2-11H,1H3

InChI key: QKCJASLQYFBBKO-UHFFFAOYSA-N

SMILES: COC(=O)C1=C(N=C(N=C1SC2=CC=CC=C2)Cl)SC3=CC=CC=C3

Methyl 2-chloro-4,6-bis(phenylthio)pyrimidine-5-carboxylate

CAS: 87847-24-3

Formula: C₁₈H₁₃ClN₂O₂S₂

Molecular weight: 388.891

Ref: IN-DA004EL4