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=NC(=CS1)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C |
|---|---|
| IUPAC Name | 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one |
| InChIKey | OPCWOZQGKPSMFC-UHFFFAOYSA-N |
| INCHI | 1S/C19H21N3OS3/c1-3-9-22-18(23)16-14-7-5-4-6-8-15(14)26-17(16)21-19(22)25-11-13-10-24-12(2)20-13/h3,10H,1,4-9,11H2,2H3 |
| Peso molecular | 403.600 |
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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 Lactams Sulfenyl 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 - Heteroaromatic compound - Thiazole - Thiophene - Lactam - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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 | 403.600 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 403.085 Da |
| Monoisotopic Mass | 403.085 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 584.000 |
| 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-methylthiazol-4-yl)methyl)thio)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one , CAS No.667913-02-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)