4-Ethyl-5-(3-fluorophenyl)-4H-[1,2,4]triazole-3-thiol CAS 168968-56-7
| CAS No. | 168968-56-7 |
| Molecular Formula | C10H10FN3S |
| Molecular Weight | 223.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Ethyl-5-(3-fluorophenyl)-4H-[1,2,4]triazole-3-thiol.
4-Ethyl-5-(3-fluorophenyl)-4H-[1,2,4]triazole-3-thiol (CAS 168968-56-7), molecular formula C10H10FN3S and molecular weight 223.27 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H10FN3S, 4-Ethyl-5-(3-fluorophenyl)-4H-[1,2,4]triazole-3-thiol contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 223.27 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.
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.
As a certified reference material (CRM), 4-Ethyl-5-(3-fluorophenyl)-4H-[1,2,4]triazole-3-thiol 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 | C10H10FN3S |
| Molecular Weight | 223.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2005 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 3-(3-fluorophenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 110623-33-1)
- 3-(2-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole (CAS 116850-50-1)
- 3-(4-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole (CAS 116850-63-6)
- 4-Ethyl-5-(2-fluorophenyl)-4H-[1,2,4]triazole-3-thiol (CAS 138417-36-4)
- 3-(3-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole (CAS 144165-20-8)
- 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethan-1-amine (CAS 1542100-93-5)
- [2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol (CAS 317319-23-6)
- 4-(4-Fluorophenyl)-2-hydrazinyl-5-methylthiazole (CAS 886494-45-7)
Recommended Standards
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- 3-Amino-N-butyl-2-hydroxybenzamide (CAS 473730-98-2)
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- 4,4'-Dimethylbenzhydrol (CAS 885-77-8)
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