for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)C(=O)NCCO |
|---|---|
| IUPAC Name | N-(2-hydroxyethyl)-4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzamide |
| InChIKey | JMTFLTRFAUOGLX-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N3O3S2/c23-9-8-20-16(24)12-6-4-11(5-7-12)10-26-19-21-17(25)15-13-2-1-3-14(13)27-18(15)22-19/h4-7,23H,1-3,8-10H2,(H,20,24)(H,21,22,25) |
| Peso molecular | 401.500 |
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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 | Benzamides N-acylethanolamines Benzoyl derivatives Pyrimidones Alkylarylthioethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzamide - Benzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Benzoyl - N-acylethanolamine - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxamide group - Lactam - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - 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 | 401.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 401.087 Da |
| Monoisotopic Mass | 401.087 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 607.000 |
| 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 |
![4-{[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N-(2-hydroxyethyl)benzamide , CAS No.459421-07-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)