2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(cyanomethyl)-N-phenylacetamide CAS 852687-59-3
| CAS No. | 852687-59-3 |
| Molecular Formula | C19H16ClN5OS |
| Molecular Weight | 397.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 397.88 g/mol gives 2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(cyanomethyl)-N-phenylacetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(cyanomethyl)-N-phenylacetamide (CAS 852687-59-3), a certified reference material (molecular formula C19H16ClN5OS, MW 397.88 g/mol) for analytical method development and quality control.
The molecular framework of 2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(cyanomethyl)-N-phenylacetamide (C19H16ClN5OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. 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. 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.
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 | C19H16ClN5OS |
| Molecular Weight | 397.88 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 5-(4-Chlorophenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide (CAS 182171-02-4)
- 2-(2-Chlorophenyl)-5-(2-propoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 609794-89-0)
- 2-(4-Chlorophenyl)-5-(2-propoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 609794-88-9)
- 4-[3-(2-Chlorophenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (CAS 722464-23-5)
- 4-{2-[(4-chlorophenyl)methanesulfonyl]-6-(methoxymethyl)pyrimidin-4-yl}morpholine (CAS 478041-44-0)
- N-(4-chlorophenyl)-2-(2-tosylacetyl)hydrazine-1-carbothioamide (CAS 1024436-85-8)
- 1-(3-Chlorophenyl)-3-(1-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)cyclohexyl)urea (CAS 1396856-26-0)
- 2-(2-Chlorophenyl)-N-{1-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}acetamide (CAS 1396860-62-0)
Recommended Standards
- Ethyl 2-(3-(3-(chloromethyl)-1,2,4-oxadiazol-5-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 1192804-47-9)
- N-[3-(Benzyloxy)-2-pyridinyl]-N-(4-chlorobenzoyl)thiourea (CAS 1024338-96-2)
- 4-(((3-Chloroacridin-1-yl)methyl)amino)benzenesulfonamide (CAS 831220-36-1)
- N-(3-Chloro-4-Fluorophenyl)-2-[(1,4-Dihydro-5,6-Dimethyl-4-Oxothieno[2,3-d]Pyrimidin-2-ylThio]-Acetamide (CAS 606108-58-1)
- 3-Methoxy-4-[(3-nitropyridin-2-yl)oxy]benzaldehyde (CAS 700849-38-3)
- 3-(Butan-2-yl)-1-(2,6-diethylphenyl)thiourea (CAS 66608-94-4)
- 2-Benzylbenzaldehyde (CAS 32832-95-4)
- 1,2,4-Oxadiazole-5-carboxylic acid (CAS 499770-64-8)
- 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate (CAS 163229-48-9)
- 2-(4-Chloro-2-methoxyphenyl)acetic acid (CAS 170737-95-8)
- Ethyl 4-methyl-2-((6-methylpyridin-3-yl)oxy)thiazole-5-carboxylate (CAS 1199215-94-5)
- 6-bromo-2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]quinoline-4-carboxylic acid (CAS 926199-81-7)
- 2-Methylthiazole-4-carboximidamide hydrochloride (CAS 18876-82-9)
- Semaglutide impurity 73 (CAS CATO-C4X-222673)
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