≥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 | CCC1=CC(=O)NC2=NNC(=S)N12 |
|---|---|
| IUPAC Name | 5-ethyl-3-sulfanylidene-2,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-7-one |
| InChIKey | AYUOLDRJEWTXEF-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N4OS/c1-2-4-3-5(12)8-6-9-10-7(13)11(4)6/h3H,2H2,1H3,(H,10,13)(H,8,9,12) |
| Isomeric SMILES | CCC1=CC(=O)NC2=NNC(=S)N12 |
| PubChem CID | 135876287 |
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 | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Pyrimidones Vinylogous amides Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Pyrimidone - Pyrimidine - Azole - Triazole - 1,2,4-triazole - Vinylogous amide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 196.230 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 196.042 Da |
| Monoisotopic Mass | 196.042 Da |
| Topological Polar Surface Area | 88.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| 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-ethyl-3-mercapto[1,2,4]triazolo[4,3-{a}]pyrimidin-7(8{H})-one - ≥95% , CAS No.1105189-36-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)