| CAS No. | 575461-03-9 |
| Molecular Formula | C16H14Cl2N4S |
| Molecular Weight | 365.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 3-(2,4-Dichlorophenyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-4-amine 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.
3-(2,4-Dichlorophenyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 575461-03-9), molecular formula C16H14Cl2N4S and molecular weight 365.28 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(2,4-Dichlorophenyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-4-amine (C16H14Cl2N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 365.28 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C16H14Cl2N4S |
| Molecular Weight | 365.28 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.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |