So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Erkin, A. V.; Gurzhiy, V. V.; Krutikov, V. I.; Neporozhneva, O. V. researched the compound: 2-Amino-6-methylpyrimidine-4-thiol( cas:6307-44-4 ).Formula: C5H7N3S.They published the article 《Quantum Chemistry, NMR Spectroscopy, and Single-Crystal Diffractometry Methods in the Analysis of Protonation Pathways of 2-Amino-4-benzylsulfanyl-6-methylpyrimidines》 about this compound( cas:6307-44-4 ) in Russian Journal of General Chemistry. Keywords: aminomethyl pyrimidinethione benzyl chloride protonation mechanism NMR chem shift. We’ll tell you more about this compound (cas:6307-44-4).
Protonation pathways of 2-amino-4-benzylsulfanyl-6-methylpyrimidines have been investigated by means of semiempirical PM3 quantum-chem. simulation, 13C NMR spectroscopy, and single-crystal diffractometry methods. In the gas phase and in the bipolar aprotic solvent, the protonation involves the N1 atom. The protonation in the crystalline state is characterized by the formation of a branched system of H-bonds, involving the protons of the amino group besides the mentioned nitrogen atom.
Although many compounds look similar to this compound(6307-44-4)Formula: C5H7N3S, numerous studies have shown that this compound(SMILES:SC1=CC(C)=NC(N)=N1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.
Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com