5-((tert-Butylthio)methyl)isoxazol-3(2H)-one CAS 89660-67-3
| CAS No. | 89660-67-3 |
| Molecular Formula | C8H13NO2S |
| Molecular Weight | 187.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-((tert-Butylthio)methyl)isoxazol-3(2H)-one is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-((tert-Butylthio)methyl)isoxazol-3(2H)-one (CAS 89660-67-3), molecular formula C8H13NO2S and molecular weight 187.26 g/mol, is a CATO reference standard with documented purity and traceability.
5-((tert-Butylthio)methyl)isoxazol-3(2H)-one (C8H13NO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
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 | C8H13NO2S |
| Molecular Weight | 187.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1982 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related tert Standards
- 5-((Butylthio)methyl)isoxazol-3(2H)-one (CAS 89660-66-2)
- 4-((Tert-butylthio)methyl)piperidine (CAS 1247790-74-4)
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- 5-(Sec-Butylthio)-1,3,4-thiadiazol-2-amine (CAS 33313-08-5)
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