5-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-1,2,3-thiadiazole CAS 338408-05-2
| CAS No. | 338408-05-2 |
| Molecular Formula | C14H8BrClN2S2 |
| Molecular Weight | 383.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-1,2,3-thiadiazole (CAS 338408-05-2) is a high-purity analytical reference standard with the molecular formula C14H8BrClN2S2 and a molecular weight of 383.71 g/mol.
Structurally, 5-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-1,2,3-thiadiazole (C14H8BrClN2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 383.71 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.
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 | C14H8BrClN2S2 |
| Molecular Weight | 383.71 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 | Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 5-Chloro-4-(((2,3-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole (CAS 318248-36-1)
- 21H,23H-Porphine, 5,10,15,20-tetraphenyl-,manganese complex (CAS 12650-83-8)
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- Ethyl 5-acetylthiophene-2-carboxylate (CAS 33148-82-2)
- 4-Bromo-1-fluoro-2-(trichloromethoxy)benzene (CAS 1417566-73-4)
- 1,6-Pyrenediamine (CAS 14923-84-3)
- 2-Methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)butan-2-ol (CAS 1430727-39-1)
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- Dotinurad Impurity 95 (CAS CATO-C4X-249495)
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