1-Methyl-5-(3-(trifluoromethyl)phenyl)pyrimidine-4(1H)-thione CAS 62953-72-4
| CAS No. | 62953-72-4 |
| Molecular Formula | C12H9F3N2S |
| Molecular Weight | 270.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Methyl-5-(3-(trifluoromethyl)phenyl)pyrimidine-4(1H)-thione is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-Methyl-5-(3-(trifluoromethyl)phenyl)pyrimidine-4(1H)-thione (CAS 62953-72-4), molecular formula C12H9F3N2S and molecular weight 270.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-Methyl-5-(3-(trifluoromethyl)phenyl)pyrimidine-4(1H)-thione (C12H9F3N2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C12H9F3N2S |
| Molecular Weight | 270.27 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde 4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carbaldehyde 438577-61-8 (CAS 438577-61-8)
- 4’-Bromo-2’-(trifluoromethyl)acetophenone (CAS 1197231-94-9)
- 4-(2-Fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-1H,4H,5H-indeno[1,2-d]pyrimidin-5-one (CAS 860788-33-6)
- Calcitonin C-Terminal Flanking Peptide (human) XTFA (CAS 85916-47-8（free base）)
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