| CAS No. | 81863-77-6 |
| Molecular Formula | C16H14ClN3OS2 |
| Molecular Weight | 363.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 3-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 363.88 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 81863-77-6) is a high-purity analytical reference standard with the molecular formula C16H14ClN3OS2 and a molecular weight of 363.88 g/mol.
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.
As a certified reference material (CRM), 3-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione 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 | C16H14ClN3OS2 |
| Molecular Weight | 363.88 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.) | 1980 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |