methyl 2-[(2-cyanoethyl)thio]acetate CAS 60785-76-4
| CAS No. | 60785-76-4 |
| Molecular Formula | C6H9NO2S |
| Molecular Weight | 159.21 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 methyl 2-[(2-cyanoethyl)thio]acetate.
methyl 2-[(2-cyanoethyl)thio]acetate (CAS 60785-76-4), molecular formula C6H9NO2S and molecular weight 159.21 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of methyl 2-[(2-cyanoethyl)thio]acetate (C6H9NO2S) is characterized by an amide group, a sulfone group, a carboxylic acid 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. 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 | C6H9NO2S |
| Molecular Weight | 159.21 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.) | 1974 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related methyl Standards
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- Methyl (2-cyanoethyl)-D-alaninate (CAS 1379441-80-1)
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Recommended Standards
- methyl (2S)-5-sulfanylidenepyrrolidine-2-carboxylate (CAS 85178-37-6)
- Methyl 2-thioxopyrrolidine-3-carboxylate (CAS 340039-49-8)
- Imino(methyl)(2-methylfuran-3-yl)-lambda6-sulfanone (CAS 2060057-13-6)
- methyl 4-isothiocyanatobutanoate (CAS 62210-26-8)
- 4-Dimethylaminobenzaldehyde (CAS 100-10-7)
- 5-Amino-3-methyl-1,2-oxazole-4-carbothioamide (CAS 130783-67-4)
- (R)-8A-methylhexahydropyrrolo[1,2-a]pyrazin-3(4H)-one (CAS 2165659-24-3)
- 5,6-Diamino-1-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 59008-19-4)
- 7-Hydroxy Propranolol HCl (CAS 76275-67-7)
- 2-amino-6-bromobenzoic acid HCl (CAS 268566-21-8)
- 3-Bromo-5-fluoro-4H-1,2,4-triazole (CAS 42297-30-3)
- (4-Benzyl-1,4-diazepan-1-yl)(5-bromofuran-2-yl)methanone (CAS 1050587-25-1)
- 4-(4-(Methylthio)phenyl)but-3-yn-1-ol (CAS 868659-71-6)
- Semaglutide impurity 30 (CAS CATO-C4X-222630)
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