| CAS No. | 251097-43-5 |
| Molecular Formula | C18H12BrCl2NOS2 |
| Molecular Weight | 473.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
CATO supplies N-(4-bromophenyl)-3-((2,6-dichlorobenzyl)thio)thiophene-2-carboxamide (CAS 251097-43-5), a certified reference material (molecular formula C18H12BrCl2NOS2, MW 473.23 g/mol) for analytical method development and quality control.
Structurally, N-(4-bromophenyl)-3-((2,6-dichlorobenzyl)thio)thiophene-2-carboxamide (C18H12BrCl2NOS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 473.23 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C18H12BrCl2NOS2 |
| Molecular Weight | 473.23 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |