Rostkowska, H.; Szczepaniak, K.; Nowak, M. J.; Leszczynski, J.; KuBulat, K.; Person, Willis B. published the article 《Thiouracils. 2. Tautomerism and infrared spectra of thiouracils. Matrix-isolation and ab initio studies》. Keywords: thiouracil tautomer IR; methylthiouracil isomer IR; MO ab initio thiouracil.They researched the compound: 4-Methyl-6-(methylthio)pyrimidin-2-ol( cas:16710-11-5 ).Safety of 4-Methyl-6-(methylthio)pyrimidin-2-ol. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:16710-11-5) here.
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).
There is still a lot of research devoted to this compound(SMILES：CSC1=NC(O)=NC(C)=C1)Safety of 4-Methyl-6-(methylthio)pyrimidin-2-ol, and with the development of science, more effects of this compound(16710-11-5) can be discovered.
Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem