≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=C(C=CC(=C3)C)C)C |
|---|---|
| IUPAC Name | 3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
| InChIKey | OLNYWVFZNYCDMW-UHFFFAOYSA-N |
| INCHI | 1S/C17H18N2OS2/c1-5-12-11(4)22-15-14(12)16(20)19(17(21)18-15)13-8-9(2)6-7-10(13)3/h6-8H,5H2,1-4H3,(H,18,21) |
| Molecular Weight | 330.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | p-Xylenes Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Thiophenes Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - P-xylene - Xylene - Pyrimidinethione - 2-thiopyrimidine - Pyrimidone - Thiopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Lactam - Thiourea - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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 | 330.500 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 330.086 Da |
| Monoisotopic Mass | 330.086 Da |
| Topological Polar Surface Area | 92.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 470.000 |
| 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-(2,5-dimethylphenyl)-5-ethyl-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one - ≥95% CAS No(743452-24-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D949284.jpg)