≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=C1C(=NN2C)NC(=S)NC(=O)C3=CC=CC=C3)C |
|---|---|
| IUPAC Name | N-[(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)carbamothioyl]benzamide |
| InChIKey | SNYLPHJHBWBBLX-UHFFFAOYSA-N |
| INCHI | 1S/C17H17N5OS/c1-10-9-11(2)18-15-13(10)14(21-22(15)3)19-17(24)20-16(23)12-7-5-4-6-8-12/h4-9H,1-3H3,(H2,19,20,21,23,24) |
| Isomeric SMILES | CC1=CC(=NC2=C1C(=NN2C)NC(=S)NC(=O)C3=CC=CC=C3)C |
| PubChem CID | 1485478 |
| Molecular Weight | 339.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolopyridines |
| Alternative Parents | Benzoic acids and derivatives Benzoyl derivatives Methylpyridines Imidolactams Pyrazoles Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoic acid or derivatives - Pyrazolopyridine - Benzoyl - Methylpyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 339.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 339.115 Da |
| Monoisotopic Mass | 339.115 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 482.000 |
| 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 |
![N-benzoyl-N'-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)thiourea - ≥90% , CAS No.866131-80-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)