4-Allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazole-3-thiol CAS 956576-80-0
| CAS No. | 956576-80-0 |
| Molecular Formula | C15H18ClN3OS |
| Molecular Weight | 323.84 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.
4-Allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazole-3-thiol (CAS 956576-80-0), molecular formula C15H18ClN3OS and molecular weight 323.84 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H18ClN3OS, 4-Allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazole-3-thiol 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 323.84 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C15H18ClN3OS |
| Molecular Weight | 323.84 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Allyl Standards
- 4-Allyl-5-(1-(4-chloro-3,5-dimethylphenoxy)ethyl)-4H-1,2,4-triazole-3-thiol (CAS 956576-82-2)
- N-allyl-3-(4-chlorophenyl)-5-(methylthio)thiophene-2-carboxamide (CAS 477858-01-8)
- N-Allyl-2-((1-(5-chloro-2-methylphenyl)-1H-tetrazol-5-yl)thio)acetamide (CAS 878702-55-7)
- 4-Allyl-5-(biphenyl-2-yloxymethyl)-4H-[1,2,4]triazole-3-thiol (CAS 722464-03-1)
- N1-Allyl-N2-(2-morpholino-2-(thiophen-3-yl)ethyl)oxalamide (CAS 946200-95-9)
- 1-Allyl-N-ethyl-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 371235-40-4)
- N-Allyl-1-ethyl-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 371143-97-4)
- 5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-1-benzylpyridin-2(1H)-one (CAS 242472-13-5)
Recommended Standards
- 5-(4-Chlorophenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazole-3-thiol (CAS 328556-86-1)
- 4-((4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl)morpholine (CAS 721414-43-3)
- N-(2-Chlorobenzyl)-2,4,5-trimethylbenzenesulfonamide (CAS 929394-08-1)
- 2-(Piperidin-1-yl)ethyl 3-chlorobenzo[b]thiophene-2-carboxylate (CAS 282091-68-3)
- tert-Butyl (3S,5R)-3-amino-5-fluoropiperidine-1-carboxylate (CAS 2059917-34-7)
- Arachidonic acid sodium salt from porcine liver, >=99% (capillary GC), waxy solid (CAS 6610-25-9)
- 4-Amino-1-(4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one (CAS 6027-65-2)
- 3-(Bromomethyl)-1-methyl-1H-indazole (CAS 174180-57-5)
- 3-Amino-2-(3,4-dimethoxyphenyl)quinazolin-4(3H)-one (CAS 388109-19-1)
- (R)-4-Aminocyclopent-1-enecarboxylic acid (CAS 102629-74-3)
- 2-(2-ethylhexyloxy)ethanol (CAS 1559-35-9)
- 8-Hydroxyquinoline-2-carbaldehyde (CAS 14510-06-6)
- 2-(3-(Pyridin-3-yl)-6-(trifluoromethyl)pyridin-2-yl)acetic acid (CAS 1214387-60-6)
- RGD-targeted Proapoptotic Peptide trifluoroacetate salt (CAS 2243207-09-0)
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