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(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3CC=C |
|---|---|
| IUPAC Name | ethyl 4-(4-methoxyphenyl)-2-[[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]amino]thiophene-3-carboxylate |
| InChIKey | SRDDZUSPHWNEJB-UHFFFAOYSA-N |
| INCHI | 1S/C28H27N3O5S3/c1-4-13-31-26(33)22-18-7-6-8-20(18)39-25(22)30-28(31)38-15-21(32)29-24-23(27(34)36-5-2)19(14-37-24)16-9-11-17(35-3)12-10-16/h4,9-12,14H,1,5-8,13,15H2,2-3H3,(H,29,32) |
| Molecular Weight | 581.700 |
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 | Thiophene carboxylic acids and derivatives Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Pyrimidones Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Anisole - Phenol ether - Thiophene carboxylic acid or derivatives - N-arylamide - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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 | 581.700 g/mol |
|---|---|
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 581.111 Da |
| Monoisotopic Mass | 581.111 Da |
| Topological Polar Surface Area | 179.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 972.000 |
| 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 2-(2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate , CAS No.315710-65-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)