N-((4-allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide CAS 338954-09-9
| CAS No. | 338954-09-9 |
| Molecular Formula | C12H13BrN4O2S2 |
| Molecular Weight | 389.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 389.29 g/mol gives N-((4-allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-((4-allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide (CAS 338954-09-9) is a high-purity analytical reference standard with the molecular formula C12H13BrN4O2S2 and a molecular weight of 389.29 g/mol.
Structurally, N-((4-allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide (C12H13BrN4O2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 389.29 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.
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 | C12H13BrN4O2S2 |
| Molecular Weight | 389.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related N Standards
- N-allyl-4-(4-(2,4-dichlorophenyl)thiazol-2-yl)benzamide (CAS 321429-98-5)
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- 1-Allyl-3-(2-chloro-6-(chroman-4-yloxy)benzyl)thiourea (CAS 866042-85-5)
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- N-Allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide (CAS 956374-51-9)
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Recommended Standards
- Ethyl 2-(4-pivalamido-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate (CAS 2390149-55-8)
- N-(4-bromo-2-methylphenyl)-2-(4-(pyridin-2-yl)piperazin-1-yl)acetamide (CAS 380626-12-0)
- 5-Bromo-N-(naphtho[2,1-d]thiazol-2-yl)thiophene-2-carboxamide (CAS 325725-68-6)
- N-(4-bromo-3-methylphenyl)-2-(4-(pyridin-2-yl)piperazin-1-yl)acetamide (CAS 329779-66-0)
- 5-Methyl-4-(methylsulfanyl)furan-2-carboxylic acid (CAS 856122-66-2)
- 4-Aminopiperidine-4-carbonitrile dihydrochloride (CAS 1376041-68-7)
- Copper, bis(salicylato)-, tetrahydrate (CAS 19025-98-0)
- 5-Bromo-2-(1H-pyrrol-1-yl)benzoic acid (CAS 133662-27-8)
- N-[[5-[[(2R)-2-Amino-3-mercaptopropyl]amino][1,1'-biphenyl]-2-yl]carbonyl]-L-methionine Trifluoroacetate Salt (CAS 1217471-51-6)
- ((2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate, sodium salt (CAS 14356-96-8)
- tert-Butyl 2-(chloromethyl)benzylcarbamate (CAS 1702674-52-9)
- 5-butyl-1,2-dihydropyrazin-2-one (CAS 1933620-49-5)
- 1-(Benzo[d][1,3]dioxol-5-yl)-N-(3-methylbenzyl)methanamine hydrobromide (CAS 1609400-39-6)
- Vasonatrin Peptide (VNP) trifluoroacetate salt (CAS 141676-35-9)
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