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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCOCC3)SC4=C2CCCC4 |
|---|---|
| IUPAC Name | 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| InChIKey | IDAOLSYPUXDLGS-UHFFFAOYSA-N |
| INCHI | 1S/C19H23N3O3S2/c1-2-7-22-18(24)16-13-5-3-4-6-14(13)27-17(16)20-19(22)26-12-15(23)21-8-10-25-11-9-21/h2H,1,3-12H2 |
| Peso molecular | 405.500 |
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 | Alkylarylthioethers Pyrimidones Morpholines Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Azacyclic compounds Dialkyl ethers Oxacyclic compounds Sulfenyl compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Aryl thioether - Pyrimidone - Alkylarylthioether - Morpholine - Oxazinane - Pyrimidine - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Lactam - Sulfenyl compound - Oxacycle - Thioether - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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 | 405.500 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 405.118 Da |
| Monoisotopic Mass | 405.118 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| 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 |
![3-allyl-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one , CAS No.307343-37-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)