3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-1-yl]propanoic acid CAS 793727-84-1
| CAS No. | 793727-84-1 |
| Molecular Formula | C15H18ClN3O2S |
| Molecular Weight | 339.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C15H18ClN3O2S, 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-1-yl]propanoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 339.84 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.
3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-1-yl]propanoic acid (CAS 793727-84-1), molecular formula C15H18ClN3O2S and molecular weight 339.84 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-1-yl]propanoic acid 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 | C15H18ClN3O2S |
| Molecular Weight | 339.84 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-(2-((4-Chlorobenzyl)thio)-5-(hydroxymethyl)-1H-imidazol-1-yl)-N-ethylacetamide (CAS 923194-96-1)
- 4-Chloro-N-(2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-benzenesulfonamide (CAS 379726-28-0)
- 3-Fluoro-4-(trifluoromethoxy)benzylamine (CAS 886499-13-4)
- 3-[2-(3,5-Dimethylphenoxy)ethyl]piperidinehydrochloride (CAS 1219980-90-1)
- 3-chloro-1-methyl-1H-pyrazole-4-sulfonyl chloride (CAS 1369123-50-1)
- 2-Chloro-N,N-dimethyl-3-nitropyridin-4-amine (CAS 1310077-70-3)
- 4-Formylphenyl 3,5-dinitrobenzoate (CAS 311330-89-9)
- 5-(6-Chloro-1-propyl-1H-benzo[d]imidazol-2-yl)pentanoic acid (CAS 1437457-84-5)
- 2-Butoxy-6-nitronaphthalene (CAS 118806-85-2)
- sodium 5-tert-butyl-1,3,4-thiadiazole-2-carboxylate (CAS 1803598-34-6)
- 1-[(2-Methanesulfonylphenyl)methyl]-3-methylurea (CAS 1823997-88-1)
- (Tyr?)-C-Peptide (dog) (CAS 101135-67-5)
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