N,4-Bis(2-fluorophenyl)piperazine-1-carbothioamide CAS 454448-45-4
| CAS No. | 454448-45-4 |
| Molecular Formula | C17H17F2N3S |
| Molecular Weight | 333.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N,4-Bis(2-fluorophenyl)piperazine-1-carbothioamide.
CATO supplies N,4-Bis(2-fluorophenyl)piperazine-1-carbothioamide (CAS 454448-45-4), a certified reference material (molecular formula C17H17F2N3S, MW 333.40 g/mol) for analytical method development and quality control.
The molecular framework of N,4-Bis(2-fluorophenyl)piperazine-1-carbothioamide (C17H17F2N3S) 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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,4-Bis(2-fluorophenyl)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 | C17H17F2N3S |
| Molecular Weight | 333.40 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- N-(Benzo[d][1,3]dioxol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide (CAS 690962-09-5)
- N-[4-(2-Phenylethynyl)phenyl]benzenesulfonamide (CAS 439097-32-2)
- N-(4-Fluorophenyl)-2-((6-methylthieno[2,3-d]pyrimidin-4-yl)thio)acetamide (CAS 878696-50-5)
- tert-butyl cis-4-(2-tert-butoxycarbonylhydrazino)-3-fluoro-piperidine-1-carboxylate (CAS 2758114-42-8)
- N,N,3-trimethylpyrrolidin-3-amine dihydrochloride (CAS 2172503-18-1)
- N-Isopropyl-4-nitrobenzylamine (CAS 202934-58-5)
- 4-Methoxy-2-phenyl-4,5-dihydrooxazole (CAS 569315-05-5)
- 5-(Benzyloxy)-6-chloro-4-iodopicolinaldehyde (CAS 1353877-99-2)
- Tert-butyl 4-cyano-4-(3,4-difluorophenyl)piperidine-1-carboxylate (CAS 906369-56-0)
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-cyclopropylpropanoicacid (CAS 1219163-22-0)
- 2-Phenylthiazolo[5,4-c]pyridine (CAS 52334-38-0)
- N-Succinyl-5-aminoimidazole-4-carboxamide Ribose 5-Phosphate (CAS 3031-95-6)
- 8-Iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 49713-46-4)
- Semaglutide impurity 290 (CAS CATO-C4X-2226290)
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