≥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.
| Canonical Smiles | C1CCN(CC1)CC2=NNC(=S)N2C3=CC=CC=C3C(F)(F)F |
|---|---|
| IUPAC Name | 3-(piperidin-1-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione |
| InChIKey | UASOCGWCZBVPBB-UHFFFAOYSA-N |
| INCHI | 1S/C15H17F3N4S/c16-15(17,18)11-6-2-3-7-12(11)22-13(19-20-14(22)23)10-21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H,20,23) |
| Molecular Weight | 342.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Trifluoromethylbenzenes Aralkylamines Piperidines Triazolines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Triazoline - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 342.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 342.113 Da |
| Monoisotopic Mass | 342.113 Da |
| Topological Polar Surface Area | 63.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| 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-(piperidin-1-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol - ≥95% , CAS No.790270-83-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)