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 | CC1=C(SC2=NC(=NC(=C12)N)SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C |
|---|---|
| IUPAC Name | 2-[3-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]benzo[de]isoquinoline-1,3-dione |
| InChIKey | UZGDLEHYJWPXCK-UHFFFAOYSA-N |
| INCHI | 1S/C23H20N4O2S2/c1-12-13(2)31-20-17(12)19(24)25-23(26-20)30-11-5-10-27-21(28)15-8-3-6-14-7-4-9-16(18(14)15)22(27)29/h3-4,6-9H,5,10-11H2,1-2H3,(H2,24,25,26) |
| Molecular Weight | 448.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Naphthalenes Thienopyrimidines Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams N-substituted carboxylic acid imides Thiophenes Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Primary amines Hydrocarbon derivatives Organooxygen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Naphthalene - Thienopyrimidine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Carboxylic acid imide, n-substituted - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carboxylic acid imide - Thiophene - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 448.600 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.103 Da |
| Monoisotopic Mass | 448.103 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 679.000 |
| 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-[3-(4-Amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]benzo[de]isoquinoline-1,3-dione , CAS No.315695-27-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)