2-(4-Methylphenyl)-1,2-benzisothiazol-3(2H)-one CAS 2514-30-9
| CAS No. | 2514-30-9 |
| Molecular Formula | C14H11NOS |
| Molecular Weight | 241.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(4-Methylphenyl)-1,2-benzisothiazol-3(2H)-one (CAS 2514-30-9) is a high-purity analytical reference standard with the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol.
2-(4-Methylphenyl)-1,2-benzisothiazol-3(2H)-one (C14H11NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C14H11NOS |
| Molecular Weight | 241.31 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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