| CAS No. | 329777-80-2 |
| Molecular Formula | C13H12BrN3S |
| Molecular Weight | 322.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
1-(5-Bromo-3-methylpyridin-2-yl)-3-phenylthiourea (CAS 329777-80-2), molecular formula C13H12BrN3S and molecular weight 322.22 g/mol, is a CATO reference standard with documented purity and traceability.
1-(5-Bromo-3-methylpyridin-2-yl)-3-phenylthiourea (C13H12BrN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C13H12BrN3S |
| Molecular Weight | 322.22 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |