Ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)propanoate CAS 339101-35-8
| CAS No. | 339101-35-8 |
| Molecular Formula | C16H15F3N2O2S |
| Molecular Weight | 356.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)propanoate (CAS 339101-35-8) is a high-purity analytical reference standard with the molecular formula C16H15F3N2O2S and a molecular weight of 356.36 g/mol.
Based on its molecular formula C16H15F3N2O2S, Ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)propanoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 356.36 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)propanoate 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.
Physical & Chemical Properties
| Molecular Formula | C16H15F3N2O2S |
| Molecular Weight | 356.36 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 | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 6-Phenyl-2-((3-(trifluoromethyl)phenyl)thio)nicotinonitrile (CAS 252058-96-1)
- 2-Methyl-2-{[2-(Trifluoromethyl)Spiro[Indole-3,4'-Piperidine]-1'-Yl]Carbonyloxy}Propylidyne (CAS 1251004-24-6)
- 1'-[5-(Trifluoromethyl)pyridin-2-yl]-[1,4'-bipiperidine]-4'-carboxamide (CAS 551931-39-6)
- 2-((2-Oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)nicotinic acid (CAS 422539-20-6)
- di[5-(trifluoromethyl)-2-pyridyl] disulphide (CAS 259544-96-2)
- 1-(2-(Trifluoromethyl)quinolin-4-yl)-1H-indole-3-carboxylic acid (CAS 649539-00-4)
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Recommended Standards
- 6-Phenyl-2-(phenylsulfanyl)-4-(trifluoromethyl)nicotinonitrile (CAS 338749-48-7)
- Ethyl 3-((4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoate (CAS 505064-91-5)
- N-(2-nitrophenyl)-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide (CAS 332101-22-1)
- 3-Ethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (CAS 692287-60-8)
- 7-Propyl-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one (CAS 81530-27-0)
- 1-(2-Methyl-5-nitrofuran-3-yl)ethanone (CAS 213469-81-9)
- 2-Amino-4-(4-butylphenyl)thiophene-3-carboxamide (CAS 519016-87-6)
- 1'-Methyl-2,4'-bipiperidine (CAS 103985-03-1)
- 2,9-Dimethylquinolino[2,3-b]acridine-7,14(5H,12H)-dione (CAS 980-26-7)
- 1-(4-Nitrophenyl)-4-oxocyclohexanecarboxylic Acid (CAS 1408074-40-7)
- 4-(2,3-Dihydro-indole-1-sulfonyl)-phenylamine (CAS 314284-67-8)
- N-(4-(N-methylsulfamoyl)phenyl)acetamide (CAS 6884-87-3)
- Fmoc-Ala-Ala-Asn(Trt)-OH (CAS 1951424-92-2)
- Tirzepatide Impurity 59 (CAS CATO-C4X-324059)
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