≥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.
| Sonrisas canónicas | CC1=CC(=CC=C1)OC(C)C2=NNC(=S)N2C |
|---|---|
| IUPAC Name | 4-methyl-3-[1-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione |
| InChIKey | NLTQFKRQWMFDAF-UHFFFAOYSA-N |
| INCHI | 1S/C12H15N3OS/c1-8-5-4-6-10(7-8)16-9(2)11-13-14-12(17)15(11)3/h4-7,9H,1-3H3,(H,14,17) |
| Isómeros SMILES | CC1=CC(=CC=C1)OC(C)C2=NNC(=S)N2C |
| PubChem CID | 4992886 |
| Peso molecular | 249.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Toluenes Alkyl aryl ethers Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Azole - Triazoline - 1,2,4-triazole - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 249.330 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.094 Da |
| Monoisotopic Mass | 249.094 Da |
| Topological Polar Surface Area | 69.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2,4-Dihydro-4-methyl-5-[1-(3-methylphenoxy)ethyl]-3H-1,2,4-triazole-3-thione - ≥95% CAS No(588673-54-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1042968.jpg)