3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[(1E)-{[2-(morpholin-4-yl)-2-oxoethoxy]amino}methylidene]thiourea CAS 477885-61-3
| CAS No. | 477885-61-3 |
| Molecular Formula | C14H15ClF3N5O3S |
| Molecular Weight | 425.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[(1E)-{[2-(morpholin-4-yl)-2-oxoethoxy]amino}methylidene]thiourea (CAS 477885-61-3), molecular formula C14H15ClF3N5O3S and molecular weight 425.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[(1E)-{[2-(morpholin-4-yl)-2-oxoethoxy]amino}methylidene]thiourea (C14H15ClF3N5O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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 425.81 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C14H15ClF3N5O3S |
| Molecular Weight | 425.81 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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Recommended Standards
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- N-[(2E)-2-[(4-Chlorophenyl)methylidene]-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide (CAS 691884-03-4)
- 2,2,2-Trifluoro-N-(2,4,6-tribromophenyl)acetamide (CAS 68545-90-4)
- Octane-1,8-diamine dihydroiodide (CAS 2044283-92-1)
- Methyl 5-bromo-2-((tert-butoxycarbonyl)amino)-4-methylthiophene-3-carboxylate (CAS 2446487-10-9)
- 3-Amino-4-methylheptanoic acid (CAS 204191-41-3)
- N'-((5-(Dimethylamino)furan-2-yl)methylene)acetohydrazide (CAS 444674-29-7)
- 2-(Dichloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride (CAS 1332584-37-8)
- Pralatrexate Impurity 2 (CAS 52454-37-2)
- Ethyl 3-(1H-pyrrole-2-carboxamido)propanoate (CAS 129053-83-4)
- 1,3-Dimethyl-1H-indazol-4-ol (CAS 904315-29-3)
- N-Methyl-N-(1-methyl-1H-pyrazol-3-yl)heptanamide (CAS 62399-87-5)
- Peptide 46 (H-4054.0500) (CAS 192122-40-0)
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