| CAS No. | 380346-36-1 |
| Molecular Formula | C15H11Cl2N3S |
| Molecular Weight | 336.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 4-(3-Chloro-4-methyl-phenyl)-5-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-(3-Chloro-4-methyl-phenyl)-5-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 380346-36-1), a certified reference material (molecular formula C15H11Cl2N3S, MW 336.24 g/mol) for analytical method development and quality control.
Based on its molecular formula C15H11Cl2N3S, 4-(3-Chloro-4-methyl-phenyl)-5-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 336.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C15H11Cl2N3S |
| Molecular Weight | 336.24 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |