| CAS No. | 41776-91-4 |
| Molecular Formula | C16H9IN2OS |
| Molecular Weight | 404.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
2-(4-Iodobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (CAS 41776-91-4), molecular formula C16H9IN2OS and molecular weight 404.22 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(4-Iodobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (C16H9IN2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, iodine 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 404.22 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 2-(4-Iodobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one 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 | C16H9IN2OS |
| Molecular Weight | 404.22 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.) | 1968 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |