| CAS No. | 586995-39-3 |
| Molecular Formula | C13H9FN4S2 |
| Molecular Weight | 304.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
5-(4-Fluorophenyl)-4-((thiophen-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 586995-39-3), molecular formula C13H9FN4S2 and molecular weight 304.37 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-(4-Fluorophenyl)-4-((thiophen-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol (C13H9FN4S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine 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 304.37 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
CATO manufactures 5-(4-Fluorophenyl)-4-((thiophen-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
| Molecular Formula | C13H9FN4S2 |
| Molecular Weight | 304.37 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 | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |