Methyl 2-[({5-[(E)-2-[(4-chlorophenyl)amino]ethenyl]-4-cyano-1,2-thiazol-3-yl}sulfanyl)methyl]benzoate CAS 338778-49-7
| CAS No. | 338778-49-7 |
| Molecular Formula | C21H16ClN3O2S2 |
| Molecular Weight | 441.95 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 2-[({5-[(E)-2-[(4-chlorophenyl)amino]ethenyl]-4-cyano-1,2-thiazol-3-yl}sulfanyl)methyl]benzoate (CAS 338778-49-7), molecular formula C21H16ClN3O2S2 and molecular weight 441.95 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 2-[({5-[(E)-2-[(4-chlorophenyl)amino]ethenyl]-4-cyano-1,2-thiazol-3-yl}sulfanyl)methyl]benzoate (C21H16ClN3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), Methyl 2-[({5-[(E)-2-[(4-chlorophenyl)amino]ethenyl]-4-cyano-1,2-thiazol-3-yl}sulfanyl)methyl]benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H16ClN3O2S2 |
| Molecular Weight | 441.95 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Recommended Standards
- 2-Chloro-10-phenyl-10H-spiro[acridine-9,9'-fluorene] (CAS 2313446-72-7)
- Montelukast Impurity 29 (CAS 184764-13-4)
- (R)-tert-Butyl 1-(3-benzyl-7-chloro-4-oxo-4H-chromen-2-yl)-2-methylpropylcarbamate (CAS 618430-24-3)
- Montelukast Impurity N19 (CAS 150026-73-6)
- 2-Butoxy-4-fluorobenzaldehyde (CAS 1378819-64-7)
- 3-Hydroxybenzenesulfonamide (CAS 20759-40-4)
- Spiro[2.4]Heptan-5-amine (CAS 1267497-14-2)
- N1-Isobutyl-N2-(2-(thiophen-3-yl)ethyl)oxalamide (CAS 1060307-79-0)
- N-[2-[[4-[4-(3-Bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]sulfamide (CAS 1204669-70-4)
- 1-[(3S)-3-Aminopyrrolidin-1-yl]-2-methylpropan-2-ol (CAS 1568206-90-5)
- 3-Amino-N-(m-tolyl)benzamide (CAS 14315-23-2)
- Di-t-butyltin dichloride, 98% (CAS 19429-30-2)
- 2-Bromo-1-fluoro-5-methoxy-3-nitrobenzene (CAS 1805556-65-3)
- Semaglutide (CAS 910463-68-2（free base）)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com