| CAS No. | 81518-31-2 |
| Molecular Formula | C17H14ClN3S |
| Molecular Weight | 327.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 327.83 g/mol gives 3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 81518-31-2), a certified reference material (molecular formula C17H14ClN3S, MW 327.83 g/mol) for analytical method development and quality control.
Structurally, 3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole (C17H14ClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine 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 327.83 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C17H14ClN3S |
| Molecular Weight | 327.83 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |