3-((4-Fluorobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole CAS 329699-48-1
| CAS No. | 329699-48-1 |
| Molecular Formula | C14H12FN3S2 |
| Molecular Weight | 305.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((4-Fluorobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-((4-Fluorobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 329699-48-1) is a high-purity analytical reference standard with the molecular formula C14H12FN3S2 and a molecular weight of 305.39 g/mol.
Based on its molecular formula C14H12FN3S2, 3-((4-Fluorobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole 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 305.39 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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-Fluorobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole 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 | C14H12FN3S2 |
| Molecular Weight | 305.39 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Fluorobenzyl Standards
- 6-(4-Fluorobenzyl)-2-(methylthio)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol (CAS 1112162-74-9)
- 6-(4-Fluorobenzyl)-3-(morpholinoamino)-1,2,4-triazin-5(4H)-one (CAS 881438-04-6)
- N-(4-Fluorobenzyl)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanamide (CAS 1105228-48-5)
- 2-(4-Fluorobenzyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 186299-00-3)
- (E)-2-(4-fluorobenzyl)-6-styrylpyridazin-3(2H)-one (CAS 303146-97-6)
- 2-(4-Fluorobenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one (CAS 478042-29-4)
- N1-(4-Fluorobenzyl)-N2-(2-(thiophen-3-yl)ethyl)oxalamide (CAS 1060227-16-8)
- 3-((3-Fluorobenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine (CAS 477872-68-7)
Recommended Standards
- 2-Ethoxy-4,6-dimethyl-3-(3-methylbenzenesulfonyl)pyridine (CAS 866143-08-0)
- 3-((Ethyl(m-tolyl)amino)methyl)benzenesulfonic acid (CAS 91-98-5)
- 2,2-Dimethyl-1-(1-tosyl-1H-pyrrol-2-yl)propan-1-one (CAS 827024-01-1)
- 4,6-Dimethyl-3-[2-(propan-2-yl)benzenesulfonyl]-1,2-dihydropyridin-2-one (CAS 866049-00-5)
- 3-Amino-4-methoxybenzene-1-sulfonamide (CAS 6973-08-6)
- 2-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]-acetic acid (CAS 874832-46-9)
- (R)-1-(3-methylisoxazol-5-yl)ethan-1-amine (CAS 2227844-82-6)
- Dichloralphenazone (CAS 480-30-8)
- n,n-Dimethyl-5-oxopyrrolidine-3-carboxamide (CAS 958807-10-8)
- tert-Butyl 3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate (CAS 159634-59-0)
- [3,5-Bis(trifluoromethyl)-4-pyridyl]methanamine (CAS 1204234-61-6)
- 2-[(4-Chlorophenyl)amino]-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 1348555-04-3)
- 4-(2-Ethoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride (CAS 1315365-35-5)
- Semaglutide Impurity 13 (CAS CATO-C4X-222613)
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