4-Methylmorpholin-4-ium 3-cyano-6-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)pyridine-2-thiolate CAS 301842-71-7
| CAS No. | 301842-71-7 |
| Molecular Formula | C12H5F3N2OS2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 4-Methylmorpholin-4-ium 3-cyano-6-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)pyridine-2-thiolate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 415.45 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
4-Methylmorpholin-4-ium 3-cyano-6-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)pyridine-2-thiolate (CAS 301842-71-7), molecular formula C12H5F3N2OS2C5H11NO and molecular weight 415.45 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C12H5F3N2OS2 C5H11NO |
| Molecular Weight | 415.45 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Methylmorpholin Standards
- (3-methylmorpholin-3-yl)methanol (CAS 1003-81-2)
- (R)-2-Methylmorpholin-3-one (CAS 100636-23-5)
- 5-(2-Methylmorpholin-4-yl)pyridin-2-amine (CAS 1019557-04-0)
- 2-(2-Methylmorpholin-4-yl)benzaldehyde (CAS 1021237-96-6)
- (3-methylmorpholin-3-yl)methanol hydrochloride (CAS 1121-98-8)
- 4-[(3-methylmorpholin-4-yl)methyl]aniline (CAS 1156646-14-8)
- 4-(3-Methylmorpholin-4-yl)aniline (CAS 1156819-54-3)
- 3-(3-methylmorpholin-4-yl)propan-1-ol (CAS 1156993-26-8)
Recommended Standards
- Ethyl 3-Amino-3-(5-chloro-2-methoxyphenyl)propanoate (CAS 747406-15-1)
- (S)-1-(L-alanyl)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide hydrochloride (CAS 65022-17-5)
- 2-[3,5-Bis(trifluoromethyl)phenyl]oxirane (CAS 109086-18-2)
- N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycine (CAS 765924-08-1)
- Potassium Ethyl-p-hydroxyl Benzoate Solution, 100pm (CAS 36457-19-9)
- 1,3-Dichloro-5-(trifluoromethyl)benzene (CAS 54773-20-5)
- tert-Butyl 3-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate (CAS 848308-22-5)
- 2,3-dihydro-1,4-benzoxathiin-2-ylmethanol (CAS 35143-11-4)
- (3-Bromo-5-(trifluoromethyl)phenyl)hydrazine (CAS 1001462-89-0)
- D-Glu3-Tirzepatide (CAS CATO-CPTD788927)
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