≥90% 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 | CC1=CC(=NC2=C(C(=NN12)SC)C#N)C |
|---|---|
| IUPAC Name | 5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChIKey | XCBCJQJCCRBGOW-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N4S/c1-6-4-7(2)14-9(12-6)8(5-11)10(13-14)15-3/h4H,1-3H3 |
| Isomeric SMILES | CC1=CC(=NC2=C(C(=NN12)SC)C#N)C |
| PubChem CID | 612735 |
| Molecular Weight | 218.28 |
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 | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Alkylarylthioethers Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Aryl thioether - Alkylarylthioether - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Carbonitrile - Nitrile - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 218.280 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 218.063 Da |
| Monoisotopic Mass | 218.063 Da |
| Topological Polar Surface Area | 79.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |
![5,7-Dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile - ≥90% , CAS No.90842-90-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)