≥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 | CSC1=NC2=C(C=NN2C(=N1)Cl)Br |
|---|---|
| IUPAC Name | 8-bromo-4-chloro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine |
| InChIKey | GREOHWDIFQPWJF-UHFFFAOYSA-N |
| INCHI | 1S/C6H4BrClN4S/c1-13-6-10-4-3(7)2-9-12(4)5(8)11-6/h2H,1H3 |
| Isomeric SMILES | CSC1=NC2=C(C=NN2C(=N1)Cl)Br |
| PubChem CID | 12916121 |
| Molecular Weight | 279.55 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolotriazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolotriazines |
| Alternative Parents | Pyrazolo[1,5-a][1,3,5]triazines Methylthio-s-triazines Alkyl-2-thio-S-triazines Chloro-s-triazines Alkylarylthioethers Aryl chlorides Aryl bromides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - Methylthio-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Chloro-s-triazine - Halo-s-triazine - Alkylarylthioether - Aryl bromide - Aryl chloride - 1,3,5-triazine - Aryl halide - Triazine - Heteroaromatic compound - Azole - Pyrazole - Thioether - Sulfenyl compound - Azacycle - Organic nitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers. |
| External Descriptors | Not available |
| Molecular Weight | 279.550 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 277.903 Da |
| Monoisotopic Mass | 277.903 Da |
| Topological Polar Surface Area | 68.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
