| CAS No. | 339019-54-4 |
| Molecular Formula | C14H13ClN2O2S2 |
| Molecular Weight | 340.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Ethyl 4-[(2-chlorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 339019-54-4), molecular formula C14H13ClN2O2S2 and molecular weight 340.85 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H13ClN2O2S2, Ethyl 4-[(2-chlorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine-5-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 340.85 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), Ethyl 4-[(2-chlorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine-5-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
| Molecular Formula | C14H13ClN2O2S2 |
| Molecular Weight | 340.85 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |