≥95% 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 | COC1=CC=C(C=C1)CN2C(=O)C3=C(C(=CS3)Br)NC2=O |
|---|---|
| IUPAC Name | 7-bromo-3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione |
| InChIKey | ZWVXWPNJBUJPPN-UHFFFAOYSA-N |
| INCHI | 1S/C14H11BrN2O3S/c1-20-9-4-2-8(3-5-9)6-17-13(18)12-11(16-14(17)19)10(15)7-21-12/h2-5,7H,6H2,1H3,(H,16,19) |
| Isomeric SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=C(C(=CS3)Br)NC2=O |
| PubChem CID | 71711045 |
| Molecular Weight | 367.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Aryl bromides Vinylogous amides Thiophenes Heteroaromatic compounds Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Thiophene - Lactam - Urea - Ether - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - 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 | 367.220 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 365.967 Da |
| Monoisotopic Mass | 365.967 Da |
| Topological Polar Surface Area | 86.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 428.000 |
| 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 |
![7-Bromo-3-(4-methoxybenzyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione - ≥95% , CAS No.1392484-71-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)