Ethyl 4-phenyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate CAS 1240598-90-6
| CAS No. | 1240598-90-6 |
| Molecular Formula | C13H12N2O2S |
| Molecular Weight | 260.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 4-phenyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate (CAS 1240598-90-6), molecular formula C13H12N2O2S and molecular weight 260.31 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H12N2O2S, Ethyl 4-phenyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 260.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
Physical & Chemical Properties
| Molecular Formula | C13H12N2O2S |
| Molecular Weight | 260.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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