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 | C1=CC=C2C(=C1)C3=C(S2)C(=NC(=N3)Cl)Cl |
|---|---|
| IUPAC Name | 2,4-dichloro-[1]benzothiolo[3,2-d]pyrimidine |
| InChIKey | BSWVSKQCYPFXJF-UHFFFAOYSA-N |
| INCHI | 1S/C10H4Cl2N2S/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=NC(=N3)Cl)Cl |
| Molecular Weight | 255.12 |
| Reaxy-Rn | 18701984 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18701984&ln= |
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 | 1-benzothiophenes 2-halopyrimidines Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiophene - Thienopyrimidine - 1-benzothiophene - Halopyrimidine - 2-halopyrimidine - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Thiophene - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 | 255.120 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 253.947 Da |
| Monoisotopic Mass | 253.947 Da |
| Topological Polar Surface Area | 54.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 254.000 |
| 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-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine - CAS No(160199-05-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/3/D398476.png)