3-(4-Methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone CAS 242797-54-2
| CAS No. | 242797-54-2 |
| Molecular Formula | C16H13F3N4OS |
| Molecular Weight | 366.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(4-Methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone (CAS 242797-54-2) is a high-purity analytical reference standard with the molecular formula C16H13F3N4OS and a molecular weight of 366.36 g/mol.
The molecular framework of 3-(4-Methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone (C16H13F3N4OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 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.
Physical & Chemical Properties
| Molecular Formula | C16H13F3N4OS |
| Molecular Weight | 366.36 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 5-(4-Methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone (CAS 477852-97-4)
- 3-phenyl-2-sulfanyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 327167-86-2)
- 2-benzyl-4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-1,2-dihydrophthalazin-1-one (CAS 571149-76-3)
- 2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid (CAS 17785-56-7)
- 6-[(4-Ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methoxy]-2-phenyl-2,3-dihydropyridazin-3-one (CAS 866136-77-8)
- 11-benzyl-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6),9-trien-12-one (CAS 351342-01-3)
- 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0²,⁶]tetradeca-1,5,7-trien-3-one (CAS 721908-07-2)
- 2-Sulfanyl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one (CAS 727704-63-4)
Recommended Standards
- 2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid (CAS 726152-80-3)
- 4-((4-(N-(4-fluorophenyl)sulfamoyl)phenyl)amino)-4-oxobutanoic acid (CAS 383-43-7)
- 2-[(2-Phenoxyethyl)sulfanyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CAS 477857-08-2)
- 2-(4-Methoxyphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-oxadiazole (CAS 477856-67-0)
- 7-Nitro-3,4-dihydro-2H-1,4-benzoxazine (CAS 120711-81-1)
- 2-(5-Chloro-6-oxo-4-(pyrrolidin-1-yl)pyridazin-1(6H)-yl)acetic acid (CAS 1707594-29-3)
- 4-((4-Bromo-2-methylphenyl)sulfonyl)morpholine (CAS 313250-75-8)
- (1-Ethylpropyl)methylamine hydrochloride (CAS 130985-81-8)
- 1-(3-Chloro-2-fluorophenyl)-1h-pyrazole-3-carboxylic acid (CAS 1152537-34-2)
- 1-(5-Methyl-2-(methylthio)phenyl)ethan-1-one (CAS 1964-27-8)
- Ketotifen Impurity 10 HCl (CAS CATO-C4X-204610)
- 2,3-Dimethyl-6-amino-2H-indazole (dihydrochloride) (CAS 2446590-67-4)
- 2-Methoxyphenyl magnesium bromide solution (CAS 16750-63-3)
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