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 | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=C(NC4=CC=CC=C43)C)C5=CC=CC=C5)C |
|---|---|
| IUPAC Name | 5,6-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one |
| InChIKey | VFJRXKOVRCXYFC-UHFFFAOYSA-N |
| INCHI | 1S/C25H21N3O2S2/c1-14-16(3)32-23-21(14)24(30)28(17-9-5-4-6-10-17)25(27-23)31-13-20(29)22-15(2)26-19-12-8-7-11-18(19)22/h4-12,26H,13H2,1-3H3 |
| Isómeros SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=C(NC4=CC=CC=C43)C)C5=CC=CC=C5)C |
| PubChem CID | 1252659 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Indoles Aryl alkyl ketones Alkylarylthioethers Pyrimidones Benzene and substituted derivatives Substituted pyrroles Vinylogous amides Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Indole or derivatives - Thienopyrimidine - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Substituted pyrrole - Pyrimidine - Benzenoid - Pyrrole - Thiophene - Vinylogous amide - Heteroaromatic compound - Ketone - Lactam - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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 | 459.600 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 459.108 Da |
| Monoisotopic Mass | 459.108 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 768.000 |
| 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 |
![5,6-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one , CAS No.618395-82-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)