5-Methoxy-2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine CAS 338955-60-5
| CAS No. | 338955-60-5 |
| Molecular Formula | C13H11F3N2OS2 |
| Molecular Weight | 332.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Methoxy-2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine.
5-Methoxy-2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine (CAS 338955-60-5), molecular formula C13H11F3N2OS2 and molecular weight 332.36 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Methoxy-2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine (C13H11F3N2OS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 332.36 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C13H11F3N2OS2 |
| Molecular Weight | 332.36 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 6,7-Bis(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 685107-35-1)
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- 2-((4-Methylpiperazin-1-yl)sulfonyl)acetic acid (CAS 1042629-06-0)
- (S)-2-((S)-1-(2-((S)-2,6-Diaminohexanamido)acetyl)pyrrolidine-2-carboxamido)-4-methylpentanoic acid (CAS 185312-00-9)
- 1-Butyl-1-methylpyrrolidinium Dicyanamide (CAS 370865-80-8)
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