| CAS No. | 265314-27-0 |
| Molecular Formula | C12H10ClF3N4S |
| Molecular Weight | 334.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 334.75 g/mol gives 5-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-3-methyl-1H-pyrazole-4-carbothioamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-3-methyl-1H-pyrazole-4-carbothioamide (CAS 265314-27-0), molecular formula C12H10ClF3N4S and molecular weight 334.75 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-3-methyl-1H-pyrazole-4-carbothioamide (C12H10ClF3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine 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 334.75 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
| Molecular Formula | C12H10ClF3N4S |
| Molecular Weight | 334.75 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/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |