≥95% 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 | C1=NN(C2=C1C(=O)NC(=S)N2)CCO |
|---|---|
| IUPAC Name | 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChIKey | ORKYZKHJOXOZQW-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N4O2S/c12-2-1-11-5-4(3-8-11)6(13)10-7(14)9-5/h3,12H,1-2H2,(H2,9,10,13,14) |
| Molecular Weight | 212.230 |
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 | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioxanthines |
| Alternative Parents | Pyrazolo[3,4-d]pyrimidines Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Pyrazoles Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thioxanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidone - Pyrimidinethione - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Thiourea - Lactam - Azacycle - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group. |
| External Descriptors | Not available |
| Molecular Weight | 212.230 g/mol |
|---|---|
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 212.037 Da |
| Monoisotopic Mass | 212.037 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| 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 |
![1-(2-hydroxyethyl)-6-mercapto-1,5-dihydro-4{H}-pyrazolo[3,4-{d}]pyrimidin-4-one - ≥95% CAS No(941868-06-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/9/H959170.jpg)