(E)-4-((Isopropylthio)methylene)-3-methylisoxazol-5(4H)-one CAS 61861-41-4
| CAS No. | 61861-41-4 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-4-((Isopropylthio)methylene)-3-methylisoxazol-5(4H)-one (CAS 61861-41-4), molecular formula C8H11NO2S and molecular weight 185.24 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (E)-4-((Isopropylthio)methylene)-3-methylisoxazol-5(4H)-one (C8H11NO2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C8H11NO2S |
| Molecular Weight | 185.24 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related E Standards
- (Z)-4-((Isopropylthio)methylene)-3-methylisoxazol-5(4H)-one (CAS 61861-40-3)
- 1-(2-(Isopropylthio)ethyl)-1h-pyrazol-4-amine (CAS 1247614-91-0)
- 1-(2-(Isopropylthio)ethyl)-1h-pyrazol-3-amine (CAS 1342389-54-1)
- (2-(Isopropylthio)-1-methyl-1H-imidazol-5-yl)methanol (CAS 1355219-39-4)
- 2-(2-(Isopropylthio)ethyl)piperidine (CAS 1247225-52-0)
- 2-(Isopropylthio)-1-methoxybenzene (CAS 34257-57-3)
- 1-(Isopropylthio)-3-oxocyclobutane-1-carboxylic acid (CAS 1494424-54-2)
- 5-(Isopropylthio)-3-methylimidazolidine-2,4-dione (CAS 64732-01-0)
Recommended Standards
- (E)-3-Methyl-4-((propylthio)methylene)isoxazol-5(4H)-one (CAS 61861-39-0)
- (R)-Methyl 2-amino-3-(thiophen-2-yl)propanoate (CAS 294887-34-6)
- (E)-3-(benzo[b]thiophen-3-yl)acrylonitrile (CAS 76010-78-1)
- (Z)-3-Methyl-4-((propylthio)methylene)isoxazol-5(4H)-one (CAS 61861-38-9)
- 8-Fluoroquinolin-5-ol (CAS 1261845-15-1)
- 4-Acetyl-L-phenylalanine Hydrochloride (CAS 20299-31-4)
- 4-Amino-2,6-dimethylpyrimidine (CAS 461-98-3)
- 4-Chloro-N-(2-(hydroxymethyl)phenyl)benzenesulfonamide (CAS 353254-99-6)
- 3,5-Dinitro-2-methylbenzotrifluoride (CAS 1400644-23-6)
- 3-Hydroxy-2-oxo-2H-pyran-6-carboxylic acid (CAS 93905-59-0)
- 2-bromo-6-(bromomethyl)naphthalene (CAS 305798-02-1)
- 2-(4-Chloro-1h-pyrazol-1-yl)-3-methylbutan-1-amine (CAS 1171746-21-6)
- Methyl 4-bromo-3-(3-bromo-4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate (CAS 1439441-56-1)
- Semaglutide impurity 200 (CAS CATO-C4X-2226200)
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