| CAS No. | 568560-96-3 |
| Molecular Formula | C23H25FN4S |
| Molecular Weight | 408.53 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-(5-((3-Fluorobenzyl)thio)-4-hexyl-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 568560-96-3), molecular formula C23H25FN4S and molecular weight 408.53 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(5-((3-Fluorobenzyl)thio)-4-hexyl-4H-1,2,4-triazol-3-yl)-1H-indole (C23H25FN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 408.53 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.
As a certified reference material (CRM), 3-(5-((3-Fluorobenzyl)thio)-4-hexyl-4H-1,2,4-triazol-3-yl)-1H-indole 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 | C23H25FN4S |
| Molecular Weight | 408.53 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |