≥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 | C1=CC(=CC(=C1)Cl)C2=NN=C3N2N=C(S3)N |
|---|---|
| IUPAC Name | 3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine |
| InChIKey | RKQMJJATBYXKCJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H6ClN5S/c10-6-3-1-2-5(4-6)7-12-13-9-15(7)14-8(11)16-9/h1-4H,(H2,11,14) |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C3N2N=C(S3)N |
| PubChem CID | 23006532 |
| Molecular Weight | 251.69 |
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 | Chlorobenzenes 2-amino-5-substituted-1,3,4-thiadiazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Chlorobenzene - Halobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiadiazole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Primary amine - 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 | 251.700 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 251.003 Da |
| Monoisotopic Mass | 251.003 Da |
| Topological Polar Surface Area | 97.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 268.000 |
| 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-(3-Chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine - ≥95% , CAS No.893643-51-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)