4-Amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one CAS 869068-01-9
| CAS No. | 869068-01-9 |
| Molecular Formula | C12H11F3N4OS |
| Molecular Weight | 316.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-Amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one (CAS 869068-01-9), a certified reference material (molecular formula C12H11F3N4OS, MW 316.30 g/mol) for analytical method development and quality control.
The molecular framework of 4-Amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one (C12H11F3N4OS) 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.
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 | C12H11F3N4OS |
| Molecular Weight | 316.30 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 4-(Difluoromethyl)-2-(ethylsulfonyl)-6-(4-fluorophenyl)pyrimidine (CAS 832739-68-1)
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- 5-Methoxy-2-((3-(trifluoromethyl)benzyl)thio)pyrimidin-4(3H)-one (CAS 338411-00-0)
- 6-bromo-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid (CAS 1388059-84-4)
- n-(4-Nitrophenyl)-1h-1,3-benzodiazol-2-amine (CAS 26946-70-3)
- 1-(5-ethylfuran-2-yl)-2-methoxyethan-1-amine (CAS 1270399-95-5)
- Piperidine-1-carbothioamide (CAS 14294-09-8)
- 5-Heptyl-2-(4-(heptyloxy)phenyl)pyrimidine (CAS 57202-38-7)
- rac-(2R,3S)-2-(piperidin-4-yl)oxolane-3-carboxamide (CAS 1909293-65-7)
- 4-Bromo-5-(difluoromethyl)-6-(trifluoromethyl)picolinaldehyde (CAS 1805965-43-8)
- 2,2,2-Trifluoroethyl n-[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamate hydrochloride (CAS 1311315-79-3)
- 1-(3-Fluorophenoxy)-3-nitrobenzene (CAS 1881291-07-1)
- Insulin Degludec Impurity 6 (CAS CATO-C4X-21576)
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