≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCN1C(=NNC1=S)COC2=CC=C(C=C2)C(C)(C)C |
|---|---|
| IUPAC Name | 3-[(4-tert-butylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione |
| InChIKey | IQQXSXOCDIOQST-UHFFFAOYSA-N |
| INCHI | 1S/C15H21N3OS/c1-5-18-13(16-17-14(18)20)10-19-12-8-6-11(7-9-12)15(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,20) |
| Isómeros SMILES | CCN1C(=NNC1=S)COC2=CC=C(C=C2)C(C)(C)C |
| PubChem CID | 4993271 |
| Peso molecular | 291.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azole - Triazoline - Heteroaromatic compound - 1,2,4-triazole - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
| Peso molecular | 291.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 291.141 Da |
| Monoisotopic Mass | 291.141 Da |
| Topological Polar Surface Area | 69.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| 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 |
![5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol - ≥95% , CAS No.667437-94-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)