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 | CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C)C |
|---|---|
| IUPAC Name | ethyl 2,4-dimethyl-5-[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate |
| InChIKey | RFICNZUXROUWOI-UHFFFAOYSA-N |
| INCHI | 1S/C23H25N3O4S2/c1-5-10-26-21(28)18-14-8-7-9-16(14)32-20(18)25-23(26)31-11-15(27)19-12(3)17(13(4)24-19)22(29)30-6-2/h5,24H,1,6-11H2,2-4H3 |
| Molecular Weight | 471.600 |
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 | Aryl alkyl ketones Pyrrole carboxylic acids and derivatives Alkylarylthioethers Pyrimidones Substituted pyrroles Vinylogous amides Thiophenes Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Aryl thioether - Pyrrole-3-carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Pyrimidone - Alkylarylthioether - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Thiophene - Carboxylic acid ester - Ketone - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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 | 471.600 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 471.129 Da |
| Monoisotopic Mass | 471.129 Da |
| Topological Polar Surface Area | 145.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 819.000 |
| 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 |
![ethyl 5-{[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate , CAS No.315710-57-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)