(Z)-4-((Ethylthio)methylene)-3-phenylisoxazol-5(4H)-one CAS 61861-76-5
| CAS No. | 61861-76-5 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.29 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.
(Z)-4-((Ethylthio)methylene)-3-phenylisoxazol-5(4H)-one (CAS 61861-76-5), molecular formula C12H11NO2S and molecular weight 233.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (Z)-4-((Ethylthio)methylene)-3-phenylisoxazol-5(4H)-one (C12H11NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 233.29 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C12H11NO2S |
| Molecular Weight | 233.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 1974 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Z Standards
- (Z)-4-((Ethylthio)methylene)-2-phenyloxazol-5(4H)-one (CAS 61861-52-7)
- 4'-Ethylthio-2,2,2-trifluoroacetophenone (CAS 845823-09-8)
- 2-(Ethylthio)-6-phenylpyrimidin-4(1H)-one (CAS 62459-12-5)
- (4-(Ethylthio)furan-2-yl)(phenyl)methanol (CAS 1443326-14-4)
- (4-(Ethylthio)furan-3-yl)(phenyl)methanol (CAS 1443339-64-7)
- 3-(Ethylthio)-5-(trifluoromethyl)picolinonitrile (CAS 1421952-04-6)
- N-(2-(ethylthio)cyclohexyl)thietan-3-amine (CAS 1881375-96-7)
- N-(5-(2-(Ethylthio)ethyl)-1,3,4-thiadiazol-2-yl)acetamide (CAS 116457-37-5)
Recommended Standards
- (Z)-5-Methyl-2-(2-oxo-2-phenylethylidene)thiazolidin-4-one (CAS 853797-67-8)
- (Z)-4-((Benzylthio)methylene)-3-methylisoxazol-5(4H)-one (CAS 61861-46-9)
- [1,1'-Biphenyl]-2-sulfonamide (CAS 40182-06-7)
- (Z)-3-Methyl-4-((p-tolylthio)methylene)isoxazol-5(4H)-one (CAS 61861-72-1)
- 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-ethyl-5-[2-(methylsulfanyl)phenyl]-4H-1,2,4-triazole (CAS 339015-37-1)
- 3-(2-(3-Amino-1h-pyrazol-1-yl)ethyl)-4-methylthiazol-2(3h)-one (CAS 1339234-09-1)
- 2-Bromo-6-fluoro-4-hydroxybenzonitrile (CAS 1807144-94-0)
- 2-(1,3-Dimethyl-1h-pyrazol-4-yl)ethan-1-amine (CAS 1007461-03-1)
- N-(2-(1-(2-Hydroxyethyl)ureido)ethyl)stearamide (CAS 67970-23-4)
- Elobixibat Hydrate (CAS 1633824-78-8)
- 2-Chloro-3-(difluoromethyl)-5-fluoropyridine (CAS 1374659-31-0)
- 1-Benzothiophen-7-ylacetonitrile (CAS 17381-53-2)
- 4-(Chlorosulfonyl)-1-ethyl-1H-pyrazole-3-carboxylic acid (CAS 1365940-23-3)
- Characteristic MSH-Tetrapeptide (CAS 4289-02-5)
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