10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
MicroRNA modulators; altering the lifespan of a eukaryotic organism;
| ALogP | 4.116 |
|---|---|
| Rotatable Bond | 3 |
| Canonical Smiles | CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3Cl)C |
|---|---|
| IUPAC Name | 3-[(2-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine |
| InChIKey | DTXISKFUVTXHTD-UHFFFAOYSA-N |
| INCHI | 1S/C14H13ClN4S/c1-9-7-10(2)19-13(16-9)17-18-14(19)20-8-11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3 |
| Isomeric SMILES | CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3Cl)C |
| PubChem CID | 712811 |
| Molecular Weight | 304.79782 |
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 | Chlorobenzenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Azacycle - Sulfenyl compound - Thioether - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen 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 |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 304.800 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 304.055 Da |
| Monoisotopic Mass | 304.055 Da |
| Topological Polar Surface Area | 68.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| 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 |
