(S)-1-(4-benzyl-2-thioxooxazolidin-3-yl)ethan-1-one CAS 694520-56-4
| CAS No. | 694520-56-4 |
| Molecular Formula | C12H13NO2S |
| Molecular Weight | 235.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (S)-1-(4-benzyl-2-thioxooxazolidin-3-yl)ethan-1-one.
(S)-1-(4-benzyl-2-thioxooxazolidin-3-yl)ethan-1-one (CAS 694520-56-4), molecular formula C12H13NO2S and molecular weight 235.30 g/mol, is a CATO reference standard with documented purity and traceability.
(S)-1-(4-benzyl-2-thioxooxazolidin-3-yl)ethan-1-one (C12H13NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; 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.
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 | C12H13NO2S |
| Molecular Weight | 235.30 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- (R)-3-Amino-4-(benzo[b]thiophen-3-yl)butanoic acid (CAS 269398-95-0)
- (S)-3-Amino-4-(benzo[b]thiophen-3-yl)butanoic acid (CAS 270063-44-0)
- (R)-1-(4-benzyl-2-thioxooxazolidin-3-yl)ethan-1-one (CAS 694520-55-3)
- (S)-Dimethyl 2-aminosuccinate (CAS 6384-18-5)
- 1,1-Di-tert-butylguanidine (CAS 104919-92-8)
- 11alpha-Methoxysaikosaponin F (CAS 104109-37-7)
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- 4-Bromo-2-(tert-butyl)-7-(dimethoxymethyl)-6-iodooxazolo[4,5-c]pyridine (CAS 1305325-14-7)
- Dotinurad Impurity 177 (CAS CATO-C4X-2494177)
- (8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)(phenyl)methanone (CAS 339100-00-4)
- 1-Bromo-4-ethynyl-2-(trifluoromethyl)benzene (CAS 142476-42-4)
- 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1h-pyrazole (CAS 1004643-58-6)
- 2-Chloro-n-methyl-n-(2-methylcyclohexyl)acetamide (CAS 1183795-70-1)
- Semaglutide impurity 107 (CAS CATO-C4X-2226107)
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