5-{[(4-bromophenyl)methanesulfinyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol CAS 344274-65-3
| CAS No. | 344274-65-3 |
| Molecular Formula | C16H14BrN3OS2 |
| Molecular Weight | 408.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-{[(4-bromophenyl)methanesulfinyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-{[(4-bromophenyl)methanesulfinyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 344274-65-3), molecular formula C16H14BrN3OS2 and molecular weight 408.34 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution, 5-{[(4-bromophenyl)methanesulfinyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 408.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C16H14BrN3OS2 |
| Molecular Weight | 408.34 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related bromophenyl Standards
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- 2-((5-(4-Bromophenyl)-1-ethyl-1H-imidazol-2-yl)thio)-1-(piperidin-1-yl)ethan-1-one (CAS 1207004-06-5)
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Recommended Standards
- 1-{4-[(3,4-dichlorobenzenesulfonyl)methyl]-4-hydroxypiperidin-1-yl}-2,2-dimethylpropan-1-one (CAS 865659-58-1)
- 1-(4-{[(3,4-dichlorophenyl)sulfonyl]methyl}-4-hydroxypiperidino)-3-methyl-1-butanone (CAS 865659-57-0)
- 3-(2-Nitrophenoxy)-N-(4-(trifluoromethyl)phenyl)thiophene-2-carboxamide (CAS 252027-01-3)
- (11bS)-4-hydroxy-2,6-dimethoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide (CAS 2271444-22-3)
- 4,4-Difluorocycloheptan-1-amine (CAS 1461708-43-9)
- 4-Chloro-5-(trimethylsilyl)thiophene-2-carbaldehyde (CAS 2092000-97-8)
- (?)-2-O-Phosphono-L-glyceric acid 23295-92-3 (CAS 23295-92-3)
- 2-(1H-Pyrazol-4-yl)phenol (CAS 391927-45-0)
- 2-Methylquinolin-8-yl (4-chlorophenyl)carbamate (CAS 14577-79-8)
- 2-Methyl-3-(methylamino)butan-2-ol (CAS 412274-84-1)
- n-(2-(Pyridin-3-yl)ethyl)tetrazolo[1,5-b]pyridazin-6-amine (CAS 1252374-68-7)
- Methyl 2,5-dimethylbenzoate (CAS 13730-55-7)
- Methyl 4-(4-bromophenyl)tetrahydro-2H-pyran-4-carboxylate (CAS 894399-90-7)
- Insulin Degludec Impurity 16 (CAS CATO-C4X-215716)
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