N-phenyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbothioamide CAS 951930-15-7
| CAS No. | 951930-15-7 |
| Molecular Formula | C17H17F3N4S |
| Molecular Weight | 366.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-phenyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbothioamide (CAS 951930-15-7), molecular formula C17H17F3N4S and molecular weight 366.40 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-phenyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbothioamide (C17H17F3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 366.40 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.
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.
As a certified reference material (CRM), N-phenyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbothioamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C17H17F3N4S |
| Molecular Weight | 366.40 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- N-(Furan-2-ylmethyl)-2-((3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide (CAS 896678-57-2)
- Difluprednate Impurity 6 (CAS 167997-12-8)
- N-(Furan-2-ylmethyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide (CAS 868968-97-2)
- 4,4'-DDT (ring-13C12) (CAS 104215-84-1)
- 398486-54-9 diethyl (Z)-(2-(4-chlorophenyl)-1-fluorovinyl)phosphonate (CAS 398486-54-9)
- Di-tert-butyl carbonate (CAS 34619-03-9)
- 3-(2,4-Dichlorophenyl)-7-hydroxy-4H-chromen-4-one (CAS 302953-06-6)
- 4-(Heptyloxy)benzohydrazide (CAS 64328-64-9)
- 4-Ethyl-2-pyridinecarbonitrile-d5 (CAS 1330052-70-4)
- 4-Chloro-2-nitrobenzaldehyde (CAS 5551-11-1)
- Methyl 1-benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate (CAS 96124-43-5)
- n-Cyclohexyl-n-methylsulfamoyl chloride (CAS 83842-57-3)
- 3-(3-Chloro-4-methoxyphenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde (CAS 926190-45-6)
- Liraglutide-d8 Tritrifluoroacetate (CAS CATO-C4X-199223)
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