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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.
| Canonical Smiles | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCCO)C3=CC=CC=C3)C |
|---|---|
| IUPAC Name | 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-hydroxyethyl)acetamide |
| InChIKey | IYPXIUKCRCIQHS-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N3O3S2/c1-11-12(2)26-16-15(11)17(24)21(13-6-4-3-5-7-13)18(20-16)25-10-14(23)19-8-9-22/h3-7,22H,8-10H2,1-2H3,(H,19,23) |
| Molecular Weight | 389.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | N-acylethanolamines Pyrimidones Alkylarylthioethers Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Aryl thioether - N-acylethanolamine - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Lactam - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Alkanolamine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Organopnictogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 389.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 389.087 Da |
| Monoisotopic Mass | 389.087 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 566.000 |
| 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 |
![2-((5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-hydroxyethyl)acetamide - CAS No(325693-69-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1014225.jpg)