| CAS No. | 368-54-7 |
| Molecular Formula | C5H3F3N2OS |
| Molecular Weight | 196.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 196.15 g/mol gives 4-Hydroxy-2-mercapto-6-(trifluoromethyl)pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Hydroxy-2-mercapto-6-(trifluoromethyl)pyrimidine (CAS 368-54-7) is a high-purity analytical reference standard with the molecular formula C5H3F3N2OS and a molecular weight of 196.15 g/mol.
The molecular framework of 4-Hydroxy-2-mercapto-6-(trifluoromethyl)pyrimidine (C5H3F3N2OS) is characterized by an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C5H3F3N2OS |
| Molecular Weight | 196.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |