2-((4-(Tert-butyl)benzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 339101-55-2
| CAS No. | 339101-55-2 |
| Molecular Formula | C17H19F3N2OS |
| Molecular Weight | 356.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 356.41 g/mol gives 2-((4-(Tert-butyl)benzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-((4-(Tert-butyl)benzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-55-2), molecular formula C17H19F3N2OS and molecular weight 356.41 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H19F3N2OS, 2-((4-(Tert-butyl)benzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 356.41 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 2-((4-(Tert-butyl)benzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H19F3N2OS |
| Molecular Weight | 356.41 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 | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- 2-((3-Oxobutan-2-yl)thio)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 626222-09-1)
- 2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid (CAS 32004-68-5)
- 14,26-Dihydroxy-15,16-dimethoxy-1,2(1,3)-dibenzenacyclononaphan-5-one (CAS 32492-74-3)
- 2,5-bis(tert-butoxycarbonyl)-2,5-diazabicyclo[2.2.2]octane-1-carboxylic acid (CAS 2680550-36-9)
- Methyl 3-methyl-1-(4-methylbenzyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1011399-01-1)
- 7-Hydroxy-3-(3-hydroxyphenyl)-4H-chromen-4-one (CAS 89019-85-2)
- 3-(4-Nitro-1H-pyrazol-1-yl)propan-1-ol (CAS 1006440-58-9)
- 4,5-Diamino-1,8-dihydroxy-2,7-diisobutylanthracene-9,10-dione (CAS 76643-49-7)
- tert-Butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate (CAS 1453315-68-8)
- Cyclooct-4-en-1-amine hydrochloride (CAS 24711-13-5)
- 8-Bromo-5-oxo-5H-thiazolo[3,2-a]pyridine-2-carboxylic acid (CAS 2387597-40-0)
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- Semaglutide Impurity 75 (CAS CATO-C4X-2226175)
Why CATO?
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