for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=C(C=CC=C4Cl)Cl |
|---|---|
| IUPAC Name | N-(2,6-dichlorophenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide |
| InChIKey | QMEWJMMVDQMYDU-UHFFFAOYSA-N |
| INCHI | 1S/C18H15Cl2N3OS2/c1-9-21-17(15-10-4-2-7-13(10)26-18(15)22-9)25-8-14(24)23-16-11(19)5-3-6-12(16)20/h3,5-6H,2,4,7-8H2,1H3,(H,23,24) |
| Peso molecular | 424.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Anilides Dichlorobenzenes N-arylamides Alkylarylthioethers Aryl chlorides Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Anilide - 1,3-dichlorobenzene - N-arylamide - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Aryl chloride - Benzenoid - Aryl halide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carbonyl group - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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 |
| Peso molecular | 424.400 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 423.003 Da |
| Monoisotopic Mass | 423.003 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 519.000 |
| 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-(2,6-dichlorophenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamide , CAS No.315711-71-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)