4-((3-Allyl-2-hydroxybenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 578722-44-8
| CAS No. | 578722-44-8 |
| Molecular Formula | C18H15FN4OS |
| Molecular Weight | 354.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-((3-Allyl-2-hydroxybenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (C18H15FN4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine 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.
4-((3-Allyl-2-hydroxybenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 578722-44-8) is a high-purity analytical reference standard with the molecular formula C18H15FN4OS and a molecular weight of 354.40 g/mol.
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), 4-((3-Allyl-2-hydroxybenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione 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 | C18H15FN4OS |
| Molecular Weight | 354.40 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Allyl Standards
- 4-((3-Allyl-2-hydroxybenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 578006-04-9)
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Recommended Standards
- 4-((6-Amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(isobutyl)amino)-4-oxobutanoic acid (CAS 730992-55-9)
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- 2-Chloro-5-[4-(trifluoromethyl)phenoxymethyl]pyridine (CAS 1039969-30-6)
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- 4-Methyl-2-(piperidin-4-ylmethoxy)pyridine hydrochloride (CAS 1420806-09-2)
- 5-(Difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine (CAS 1823818-09-2)
- N,2,4-Trimethylaniline (CAS 13021-13-1)
- 1-(4-Chloro-2-(pyridin-2-ylamino)phenyl)ethanone (CAS 1402345-07-6)
- 5-Bromo-2-(1H-1,2,4-triazol-1-yl)pyridine (CAS 380382-24-1)
- 4-(1-Oxobutyl)benzonitrile (CAS 90819-57-1)
- 3-((5,6,7,8-Tetrahydronaphthalen-2-yl)oxy)propanoic acid (CAS 97024-60-7)
- Gastric Inhibitory Polypeptide (3-42) (human) trifluoroacetate salt (CAS 1802086-25-4)
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