N-(6-Bromo-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)propionamide CAS 865181-39-1
| CAS No. | 865181-39-1 |
| Molecular Formula | C13H11BrN2OS |
| Molecular Weight | 323.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(6-Bromo-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)propionamide 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.
N-(6-Bromo-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)propionamide (CAS 865181-39-1) is a high-purity analytical reference standard with the molecular formula C13H11BrN2OS and a molecular weight of 323.21 g/mol.
The molecular framework of N-(6-Bromo-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)propionamide (C13H11BrN2OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), N-(6-Bromo-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)propionamide 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.
Physical & Chemical Properties
| Molecular Formula | C13H11BrN2OS |
| Molecular Weight | 323.21 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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- 1-(1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethan-1-one (CAS 1094240-13-7)
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- 2-(5-Bromofuran-2-yl)-1H-benzo[d]imidazole (CAS 18249-68-8)
- N-butyl-6-chloro-N-methylpyrimidin-4-amine (CAS 1219967-79-9)
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