N-(3,5-Dichlorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide CAS 561294-87-9
| CAS No. | 561294-87-9 |
| Molecular Formula | C16H14Cl2N4OS2 |
| Molecular Weight | 413.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 413.34 g/mol gives N-(3,5-Dichlorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-(3,5-Dichlorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 561294-87-9), molecular formula C16H14Cl2N4OS2 and molecular weight 413.34 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H14Cl2N4OS2, N-(3,5-Dichlorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 413.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C16H14Cl2N4OS2 |
| Molecular Weight | 413.34 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 2-Amino-4-(pyridin-4-yl)-4H-benzo[g]chromene-3-carbonitrile (CAS 1272756-42-9)
- 3-(2-Chlorophenyl)-1-methylpiperazine-2,5-dione (CAS 1214111-48-4)
- Methyl 2-amino-3-(4-chlorophenyl)propanoate (CAS 23434-96-0)
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- 2-Bromo-1-(4-bromophenyl)-2-phenylethan-1-one (CAS 24567-06-4)
- Elaidic Acid Methyl Ester (CAS 1937-62-8)
- (1S,4s)-4-(aminomethyl)cyclohexane-1-carboxylic acid hydrochloride (CAS 3667-38-7)
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