Computed Properties of C6H8N2OS. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 4-Methyl-6-(methylthio)pyrimidin-2-ol, is researched, Molecular C6H8N2OS, CAS is 16710-11-5, about Thiouracils. 2. Tautomerism and infrared spectra of thiouracils. Matrix-isolation and ab initio studies. Author is Rostkowska, H.; Szczepaniak, K.; Nowak, M. J.; Leszczynski, J.; KuBulat, K.; Person, Willis B..
A study of the IR spectra of thiouracils isolated in low-temperature inert matrixes demonstrated that 2- and 4-thiouracils together with their N1- and N3-methylated derivatives as well as 2,4-dithiouracil exist under these conditions only in the oxothione or dithione tautomeric forms. In contrast, S2- and S4-methylated derivatives exist as a mixture of hydroxy and oxo tautomeric forms under the same conditions. The ratio of concentrations of the oxo and hydroxy tautomers and the free energy differences, were exptl. estimated, from the ratio of the absorbances of the NH and OH stretches. An assignment of the observed IR bands, particularly those related to the C:S stretching vibrations, is proposed on the basis of the comparison of the matrix spectra with those calculated by using ab initio methods (3-21G* basis set).
In addition to the literature in the link below, there is a lot of literature about this compound(4-Methyl-6-(methylthio)pyrimidin-2-ol)Computed Properties of C6H8N2OS, illustrating the importance and wide applicability of this compound(16710-11-5).
Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem