4-((4-(Tert-butyl)benzyl)thio)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine CAS 400086-84-2
| CAS No. | 400086-84-2 |
| Molecular Formula | C17H20F3N3S |
| Molecular Weight | 355.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-((4-(Tert-butyl)benzyl)thio)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (C17H20F3N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 355.42 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-((4-(Tert-butyl)benzyl)thio)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CAS 400086-84-2), molecular formula C17H20F3N3S and molecular weight 355.42 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C17H20F3N3S |
| Molecular Weight | 355.42 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- (3-Bromo-2-((4-chlorobenzyl)oxy)-5-methylphenyl)boronic acid (CAS 849052-18-2)
- 6-Cyclopropyl-2-((2-(piperidin-1-yl)ethyl)thio)-4-(trifluoromethyl)nicotinonitrile (CAS 625377-25-5)
- (3-Bromo-2-((3-chlorobenzyl)oxy)-5-methylphenyl)boronic acid (CAS 870778-83-9)
- Penicillin V-d5 (CAS 1356837-87-0)
- 3-(Difluoromethyl)isoxazole-5-carbaldehyde (CAS 2344685-03-4)
- (S)-3-(2-Chloro-6-methyl-4-pyrimidyl)-4-isopropyl-2-oxazolidinone (CAS 1429180-99-3)
- 3-Bromo-5-(furan-2-yl)phenol (CAS 1261888-68-9)
- 2-Formylcyclopent-2-ene-1-carboxylic acid (CAS 30758-76-0)
- 5-((5-Amino-4-((piperidin-3-ylmethyl)amino)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CAS 1137476-36-8)
- 1-(4-Bromobenzyl)pyrrolidine (CAS 4897-55-6)
- 4-(cyanomethoxy)benzonitrile (CAS 83663-87-0)
- 2-((5-((4-Methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide (CAS 332907-39-8)
- 6-Bromo-3-methyl-1H-indazol-4-amine (CAS 1000342-03-9)
- Semaglutide Impurity 14(Discontinued,See CPTD788307 ) (CAS CATO-C4X-222614)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com