≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1C(=NNC1=S)COC2=CC=CC(=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 4-methyl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione |
| InChIKey | JAZIJYVOLZZRKK-UHFFFAOYSA-N |
| INCHI | 1S/C11H10F3N3OS/c1-17-9(15-16-10(17)19)6-18-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,16,19) |
| Isomeric SMILES | CN1C(=NNC1=S)COC2=CC=CC(=C2)C(F)(F)F |
| PubChem CID | 3695465 |
| Molecular Weight | 289.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azole - Triazoline - Heteroaromatic compound - 1,2,4-triazole - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 289.280 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 289.05 Da |
| Monoisotopic Mass | 289.05 Da |
| Topological Polar Surface Area | 69.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 386.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-methyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol - ≥95% , CAS No.724749-07-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)