≥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.
| Sonrisas canónicas | CC1=C(C2=C(S1)N=CNC2=S)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidine-4-thione |
| InChIKey | PGGBMECYUHABCT-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClN2S2/c1-7-10(8-2-4-9(14)5-3-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17) |
| Peso molecular | 292.8 |
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 | Pyrimidinethiones Chlorobenzenes Aryl chlorides Thiophenes Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Chlorobenzene - Halobenzene - Pyrimidinethione - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiolactam - Thiophene - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen 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 | 292.800 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 291.99 Da |
| Monoisotopic Mass | 291.99 Da |
| Topological Polar Surface Area | 84.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| 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 |
![5-(4-Chlorophenyl)-6-methylthieno[2,3-D]pyrimidine-4(3H)-thione - ≥95% , CAS No.500198-74-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)