CAS 87847-41-4

5-Pyrimidinecarboxylic acid, 2,4-dichloro-6-(phenylthio)-, octyl ester

Description:

5-Pyrimidinecarboxylic acid, 2,4-dichloro-6-(phenylthio)-, octyl ester, identified by CAS number 87847-41-4, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms. This compound features a carboxylic acid functional group that is esterified with an octyl alcohol, resulting in an octyl ester. The presence of dichloro substituents at the 2 and 4 positions of the pyrimidine ring, along with a phenylthio group at the 6 position, contributes to its unique chemical properties and potential biological activity. The octyl ester moiety enhances its lipophilicity, which may influence its solubility and permeability in biological systems. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its structural characteristics that could impart specific reactivity or biological functions. As with many chemical substances, safety and handling precautions should be observed, given the potential hazards associated with its components.

Formula: C₁₉H₂₂Cl₂N₂O₂S

InChI: InChI=1S/C19H22Cl2N2O2S/c1-2-3-4-5-6-10-13-25-18(24)15-16(20)22-19(21)23-17(15)26-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

InChI key: IKNUXBHHRWZBRO-UHFFFAOYSA-N

SMILES: CCCCCCCCOC(=O)C1=C(N=C(N=C1Cl)Cl)SC2=CC=CC=C2

2,4-Dichloro-6-(phenylthio)octyl pyrimidine-5-carboxylate

CAS: 87847-41-4

Formula: C₁₉H₂₂Cl₂N₂O₂S

Molecular weight: 413.3612

Ref: IN-DA004EL0