3-Phenyl-2-thioxo-5-(trifluoromethyl)tetrahydropyrimidin-4(1H)-one CAS 90715-76-7
| CAS No. | 90715-76-7 |
| Molecular Formula | C11H9F3N2OS |
| Molecular Weight | 274.26 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-Phenyl-2-thioxo-5-(trifluoromethyl)tetrahydropyrimidin-4(1H)-one (CAS 90715-76-7), molecular formula C11H9F3N2OS and molecular weight 274.26 g/mol, is a CATO reference standard with documented purity and traceability.
3-Phenyl-2-thioxo-5-(trifluoromethyl)tetrahydropyrimidin-4(1H)-one (C11H9F3N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C11H9F3N2OS |
| Molecular Weight | 274.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Phenyl Standards
- 2-(4-Oxo-2-thioxo-1,4-dihydrobenzofuro[3,2-d]pyrimidin-3(2H)-yl)acetic acid (CAS 951304-87-3)
- 3-Phenyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 269736-23-4)
- 6-Methyl-2-thioxo-3-(p-tolyl)-2,3-dihydro-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one (CAS 1312139-43-7)
- N-(4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl)methanesulfonamide (CAS 436095-78-2)
- 2-Thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one (CAS 315-08-2)
- 2-Thioxo-3-(4-(trifluoromethyl)phenyl)thiazolidin-4-one (CAS 57669-54-2)
- (4-(2-Thioxo-2,3-dihydro-1H-imidazol-1-yl)benzoyl)glycine (CAS 1239770-88-7)
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Recommended Standards
- 2-Imino-5-(3-(trifluoromethyl)benzyl)thiazolidin-4-one (CAS 301687-76-3)
- 5-[4-(trifluoromethoxy)benzyl]-1,3-thiazol-2-amine (CAS 937628-92-7)
- 1,3-Bis(4-fluorophenyl)-2-methylpropane-1,3-dione (CAS 937602-30-7)
- Tert-butyl ((2-(difluoromethoxy)pyridin-3-yl)methyl)carbamate (CAS 2231676-94-9)
- 3-(Thiophen-2-yl)azetidin-3-ol (CAS 1515760-41-4)
- (3-(Benzyloxy)prop-1-en-2-yl)benzene (CAS 51876-08-5)
- 2-(Trifluoromethyl)anisole (CAS 395-48-2)
- Efrotomycin (CAS 56592-32-6)
- tert-Butyl N-[2-(4-bromophenyl)ethyl]carbamate (CAS 120157-97-3)
- N-(4-butyrylphenyl)acetamide (CAS 13211-00-2)
- 4-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine (CAS 1566067-94-4)
- 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile (CAS 329978-21-4)
- Telmisartan-d4 (CAS CATO-C4X-135937)
- Insulin Degludec Impurity 12 (CAS CATO-C4X-215712)
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