≥97% 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 | C1C(=NN2C(=NN=C2S1)C3=CC=CC=C3)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 3,6-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| InChIKey | KKMLKOAASIIFME-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N4S/c1-3-7-12(8-4-1)14-11-21-16-18-17-15(20(16)19-14)13-9-5-2-6-10-13/h1-10H,11H2 |
| Molecular Weight | 292.4 |
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 | Alkylarylthioethers Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Aryl thioether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Thioether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic 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 | 292.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 292.078 Da |
| Monoisotopic Mass | 292.078 Da |
| Topological Polar Surface Area | 68.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 388.000 |
| 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 |
![3,6-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - ≥97% , CAS No.79074-65-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)