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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=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CSC(=N4)C)CC=C |
|---|---|
| IUPAC Name | 5-(5-methylfuran-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one |
| InChIKey | OCMNDIUMSIHEOO-UHFFFAOYSA-N |
| INCHI | 1S/C19H17N3O2S3/c1-4-7-22-18(23)16-14(15-6-5-11(2)24-15)10-26-17(16)21-19(22)27-9-13-8-25-12(3)20-13/h4-6,8,10H,1,7,9H2,2-3H3 |
| Peso molecular | 415.6 |
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 | Pyrimidones Alkylarylthioethers 2,4-disubstituted thiazoles Thiophenes Heteroaromatic compounds Furans Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Pyrimidone - Alkylarylthioether - Pyrimidine - Azole - Furan - Heteroaromatic compound - Thiazole - Thiophene - Lactam - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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 | 415.600 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 415.048 Da |
| Monoisotopic Mass | 415.048 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 617.000 |
| 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-(5-Methylfuran-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one , CAS No.667912-91-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)