(S)-Benzyl 2-amino-4-(methylthio)butanoate 4-methylbenzenesulfonate CAS 68739-90-2
| CAS No. | 68739-90-2 |
| Molecular Formula | C12H17NO2S |
| Molecular Weight | N/A |
| 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)-Benzyl 2-amino-4-(methylthio)butanoate 4-methylbenzenesulfonate.
CATO supplies (S)-Benzyl 2-amino-4-(methylthio)butanoate 4-methylbenzenesulfonate (CAS 68739-90-2), a certified reference material (molecular formula C12H17NO2SC7H8O3S, MW 411.53 g/mol) for analytical method development and quality control.
(S)-Benzyl 2-amino-4-(methylthio)butanoate 4-methylbenzenesulfonate (C12H17NO2SC7H8O3S) contains a flavonoid core, an amide group, a sulfone 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
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 | C12H17NO2S C7H8O3S |
| Molecular Weight | 411.53 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Recommended Standards
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- 1-(5-Methyl-2-(methylthio)phenyl)ethan-1-one (CAS 1964-27-8)
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- 6-Chloro-1H-pyrrolo[2,3-b]pyridin-3-amine (CAS 1167608-96-9)
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- ethyl (R)-tetrahydrofuran-2-carboxylate (CAS 375825-11-9)
- Gly-Neuroendocrine Regulatory Peptide-3 (human, mouse, rat) trifluoroacetate salt (CAS 1815618-19-9)
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