1-(5-Chloro-2-methylphenyl)-5-methyl-N-(2-(methylthio)phenyl)-1H-1,2,3-triazole-4-carboxamide CAS 904817-46-5
| CAS No. | 904817-46-5 |
| Molecular Formula | C18H17ClN4OS |
| Molecular Weight | 372.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(5-Chloro-2-methylphenyl)-5-methyl-N-(2-(methylthio)phenyl)-1H-1,2,3-triazole-4-carboxamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(5-Chloro-2-methylphenyl)-5-methyl-N-(2-(methylthio)phenyl)-1H-1,2,3-triazole-4-carboxamide (CAS 904817-46-5) is a high-purity analytical reference standard with the molecular formula C18H17ClN4OS and a molecular weight of 372.87 g/mol.
Structurally, 1-(5-Chloro-2-methylphenyl)-5-methyl-N-(2-(methylthio)phenyl)-1H-1,2,3-triazole-4-carboxamide (C18H17ClN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 372.87 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C18H17ClN4OS |
| Molecular Weight | 372.87 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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Recommended Standards
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- {5-[(2-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl acetate (CAS 318289-52-0)
- 2-(3-Chlorobenzenesulfonyl)-1,1-diphenylethan-1-ol (CAS 252026-35-0)
- 7-Bromo-1H-benzo[d][1,2,3]triazole-5-carbonitrile (CAS 1423037-37-9)
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- 3-Amino-2-methoxydibenzofuran (CAS 5834-17-3)
- N-(4-fluoro-3-methylbenzyl)thietan-3-amine (CAS 1872959-57-3)
- 2,5-Dimethyl-N-(2-phenoxypropyl)aniline (CAS 1040687-45-3)
- 1-Cyclopentyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 326916-19-2)
- 1-(1-Methyl-1H-pyrazol-4-yl)pyrrolidine-3-carbaldehyde (CAS 1707735-24-7)
- 1-((tetrahydro-2H-pyran-4-yl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1220635-60-8)
- Z-Arg(Pbf)-OH · CHA (CAS 200190-89-2)
- Hexapeptide-11 (CAS 161258-30-6)
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