4-(4-Allyl-5-((3-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole CAS 956262-73-0
| CAS No. | 956262-73-0 |
| Molecular Formula | C21H19F3N6S2 |
| Molecular Weight | 476.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(4-Allyl-5-((3-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole (CAS 956262-73-0) is a high-purity analytical reference standard with the molecular formula C21H19F3N6S2 and a molecular weight of 476.54 g/mol.
The molecular framework of 4-(4-Allyl-5-((3-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole (C21H19F3N6S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C21H19F3N6S2 |
| Molecular Weight | 476.54 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 2 |
Related Allyl Standards
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Recommended Standards
- 1-Benzoyl-4-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)piperidine (CAS 1775506-21-2)
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- Ethyl 2-(4'-(3-methyl-4-(phenylsulfonamido)isoxazol-5-yl)-[1,1'-biphenyl]-4-yl)acetate (CAS 1423683-55-9)
- Methyl 4-methyl-5-(piperidine-1-carbonyl)-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate (CAS 351352-51-7)
- Ethyl 2-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetate (CAS 663195-13-9)
- 3,3-Dipropyloxacarbocyanineiodide (CAS 53213-79-9)
- Apocholic acid (CAS 641-81-6)
- 4-[5-(4-Chlorobenzoyl)-3-(pyridin-2-yl)thiophen-2-yl]morpholine (CAS 339023-17-5)
- Benzyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate (CAS 160706-61-6)
- 1-((5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)methyl)piperidine (CAS 1218790-44-3)
- 5-Bromo-4-hydroxy-2-nitrobenzaldehyde (CAS 2092143-86-5)
- H-Orn(Aloc)-OH (CAS 147290-10-6)
- 4-Monobromocannabidiol (CAS 112639-10-8)
- Vialox Peptide(Pentapeptide-3) (CAS 135679-88-8)
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