| CAS No. | 477329-80-9 |
| Molecular Formula | C20H15BrN4S |
| Molecular Weight | 423.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 477329-80-9) is a high-purity analytical reference standard with the molecular formula C20H15BrN4S and a molecular weight of 423.33 g/mol.
Structurally, 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine (C20H15BrN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 423.33 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.
As a certified reference material (CRM), 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine 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.
| Molecular Formula | C20H15BrN4S |
| Molecular Weight | 423.33 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |