≥95% 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.
| Canonical Smiles | COCCN1C(=O)C2=C(NC1=S)SC(=C2)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 3-(2-methoxyethyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
| InChIKey | UCBROJXZHIENMP-UHFFFAOYSA-N |
| INCHI | 1S/C15H14N2O2S2/c1-19-8-7-17-14(18)11-9-12(10-5-3-2-4-6-10)21-13(11)16-15(17)20/h2-6,9H,7-8H2,1H3,(H,16,20) |
| Molecular Weight | 318.4 |
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 | 2,3,5-trisubstituted thiophenes Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Thioureas Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - 2,3,5-trisubstituted thiophene - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Lactam - Thiourea - Ether - Azacycle - Dialkyl ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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 | 318.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 318.05 Da |
| Monoisotopic Mass | 318.05 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 412.000 |
| 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-(2-methoxyethyl)-6-phenyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one - ≥95% , CAS No.851169-45-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)