N-(5-((4-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide CAS 476464-69-4
| CAS No. | 476464-69-4 |
| Molecular Formula | C18H16N4O3S2 |
| Molecular Weight | 400.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C18H16N4O3S2, N-(5-((4-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 400.47 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
N-(5-((4-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CAS 476464-69-4) is a high-purity analytical reference standard with the molecular formula C18H16N4O3S2 and a molecular weight of 400.47 g/mol.
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.
Physical & Chemical Properties
| Molecular Formula | C18H16N4O3S2 |
| Molecular Weight | 400.47 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related N Standards
- 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine (CAS 332109-90-7)
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- 1-(1-Hydroxy-2-methyl-6-nitro-1H-indol-3-yl)ethanone (CAS 503536-33-2)
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