≥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.
| Sonrisas canónicas | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=S)N3)CC=C |
|---|---|
| IUPAC Name | 5-(5-methylfuran-2-yl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
| InChIKey | POCJUFFRQYOWGM-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N2O2S2/c1-3-6-16-13(17)11-9(10-5-4-8(2)18-10)7-20-12(11)15-14(16)19/h3-5,7H,1,6H2,2H3,(H,15,19) |
| Isómeros SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=S)N3)CC=C |
| PubChem CID | 4077805 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Thiophenes Furans Heteroaromatic compounds Thioureas Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Pyrimidine - Furan - Heteroaromatic compound - Vinylogous amide - Thiophene - Lactam - Thiourea - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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 | 304.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 304.034 Da |
| Monoisotopic Mass | 304.034 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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-mercapto-5-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one - ≥95% , CAS No.442865-24-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)