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.
| Sonrisas canónicas | CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)NC(=O)N3C |
|---|---|
| IUPAC Name | 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione |
| InChIKey | DRAGMAXXAPIIOD-UHFFFAOYSA-N |
| INCHI | 1S/C21H25N7O2S2/c1-3-26-8-10-27(11-9-26)19-23-17-16(18(29)24-20(30)25(17)2)28(19)12-13-31-21-22-14-6-4-5-7-15(14)32-21/h4-7H,3,8-13H2,1-2H3,(H,24,29,30) |
| Peso molecular | 471.6 |
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 |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Xanthines 6-oxopurines Alkaloids and derivatives Benzothiazoles Dialkylarylamines Alkylarylthioethers N-alkylpiperazines Pyrimidones N-substituted imidazoles Benzenoids Aminoimidazoles Heteroaromatic compounds Thiazoles Vinylogous amides Ureas Lactams Trialkylamines Azacyclic compounds Sulfenyl compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 1,3-benzothiazole - Purine - Imidazopyrimidine - Aryl thioether - Dialkylarylamine - Alkylarylthioether - Pyrimidone - N-alkylpiperazine - Pyrimidine - Benzenoid - N-substituted imidazole - Aminoimidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Thiazole - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Thioether - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 471.600 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 471.151 Da |
| Monoisotopic Mass | 471.151 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 708.000 |
| 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 |
![7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-ethylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione , CAS No.685860-59-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)