Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | CNCC1=CC2=C(S1)C(=NC(=N2)Cl)N3CCOCC3 |
|---|---|
| InChIKey | FGYOBHBOPXDZMF-UHFFFAOYSA-N |
| INCHI | 1S/C12H15ClN4OS/c1-14-7-8-6-9-10(19-8)11(16-12(13)15-9)17-2-4-18-5-3-17/h6,14H,2-5,7H2,1H3 |
| Isomeric SMILES | CNCC1=CC2=C(S1)C(=NC(=N2)Cl)N3CCOCC3 |
| Molecular Weight | 298.79 |
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 | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Dialkylarylamines 2,3,5-trisubstituted thiophenes Aralkylamines Aminopyrimidines and derivatives 2-halopyrimidines Morpholines Imidolactams Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - 2-halopyrimidine - Aralkylamine - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Tertiary amine - Secondary amine - Azacycle - Oxacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - 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 | 298.790 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 298.066 Da |
| Monoisotopic Mass | 298.066 Da |
| Topological Polar Surface Area | 78.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 305.000 |
| 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 |