2-{[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid CAS 862679-50-3
| CAS No. | 862679-50-3 |
| Molecular Formula | C12H9F3N2O2S2 |
| Molecular Weight | 334.34 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 2-{[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid.
2-{[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid (CAS 862679-50-3) is a high-purity analytical reference standard with the molecular formula C12H9F3N2O2S2 and a molecular weight of 334.34 g/mol.
The molecular framework of 2-{[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid (C12H9F3N2O2S2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C12H9F3N2O2S2 |
| Molecular Weight | 334.34 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 2-[(2-Aminophenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CAS 478045-34-0)
- 2-Bromo-6-chloro-4-iodopyridin-3-ol (CAS 2816069-75-5)
- 2-(3,4-Dihydroquinolin-1(2H)-yl)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 298215-68-6)
- 4,5-Difluoro-2-(trimethylsilyl)phenyl trifluoromethanesulfonate (CAS 217813-00-8)
- 5-Bromo-3-methyl-2-(pyrrolidin-3-yloxy)pyridine (CAS 1289269-60-8)
- Ethyl 6-methoxy-2-methylimidazo[1,2-a]pyrazine-3-carboxylate (CAS 2121305-12-0)
- methyl 2-(bromomethyl)-3-[(tert-butyldimethylsilyl)oxy]benzoate (CAS 1323407-17-5)
- 3-Methoxy-2,2-dimethylpropan-1-amine (CAS 767264-22-2)
- 1-Isopropyl-5-methoxy-1H-indole-3-carbaldehyde (CAS 848488-03-9)
- 2,4,5-trifluorobenzoylchloride (CAS 88419-56-1)
- N-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5-yl)acetamide (CAS 184172-87-0)
- 4-(4-Benzyl-1H-pyrazol-3-yl)piperidine (CAS 676552-14-0)
- 3-Cinnamoyl-4-hydroxy-6-methyl-2H-pyran-2-one (CAS 56364-25-1)
- Urotensin II-Related Peptide (human, mouse, rat) (CAS 342878-90-4)
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