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 | C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NCCCO)SC4=C2CCCC4 |
|---|---|
| IUPAC Name | N-(3-hydroxypropyl)-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide |
| InChIKey | GEDVJJVORLIEND-UHFFFAOYSA-N |
| INCHI | 1S/C24H27N3O3S2/c1-2-13-27-23(30)20-18-6-3-4-7-19(18)32-22(20)26-24(27)31-15-16-8-10-17(11-9-16)21(29)25-12-5-14-28/h2,8-11,28H,1,3-7,12-15H2,(H,25,29) |
| Peso molecular | 469.600 |
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 | Benzamides Benzoyl derivatives Pyrimidones Alkylarylthioethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzamide - Benzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Benzoyl - Pyrimidone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Alkanolamine - Sulfenyl compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic oxide - 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 | 469.600 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 469.149 Da |
| Monoisotopic Mass | 469.149 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 723.000 |
| 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 |
![N-(3-hydroxypropyl)-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide , CAS No.325693-38-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)