≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC(=O)NCCO |
|---|---|
| IUPAC Name | N-(2-hydroxyethyl)-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide |
| InChIKey | PHFJPNSHLJMZIM-UHFFFAOYSA-N |
| INCHI | 1S/C13H15N3O3S2/c17-5-4-14-9(18)6-20-13-15-11(19)10-7-2-1-3-8(7)21-12(10)16-13/h17H,1-6H2,(H,14,18)(H,15,16,19) |
| Molecular Weight | 325.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | N-acylethanolamines Pyrimidones Alkylarylthioethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - N-acylethanolamine - Aryl thioether - Pyrimidone - Alkylarylthioether - Pyrimidine - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Alkanolamine - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Alcohol - 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 | 325.400 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 325.055 Da |
| Monoisotopic Mass | 325.055 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 |
![2-[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide - ≥98% , CAS No.459421-09-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)