(E)-1-(benzo[b]thiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one CAS 893441-59-3
| CAS No. | 893441-59-3 |
| Molecular Formula | C13H13NOS |
| Molecular Weight | 231.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (E)-1-(benzo[b]thiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(E)-1-(benzo[b]thiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one (CAS 893441-59-3) is a high-purity analytical reference standard with the molecular formula C13H13NOS and a molecular weight of 231.31 g/mol.
The molecular framework of (E)-1-(benzo[b]thiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one (C13H13NOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. 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. 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 | C13H13NOS |
| Molecular Weight | 231.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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