≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CCC2=NC3=C(C4=C(S3)C(=C(C=C4)Br)O)C(=O)N2CC1 |
|---|---|
| IUPAC Name | 15-bromo-16-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17),13,15-pentaen-10-one |
| InChIKey | RQMWBTWRTLMLKX-UHFFFAOYSA-N |
| INCHI | 1S/C15H13BrN2O2S/c16-9-6-5-8-11-14(21-13(8)12(9)19)17-10-4-2-1-3-7-18(10)15(11)20/h5-6,19H,1-4,7H2 |
| Molecular Weight | 365.200 |
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 O-bromophenols 1-hydroxy-4-unsubstituted benzenoids Azepines Pyrimidones Aryl bromides Heteroaromatic compounds Thiophenes Lactams Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiophene - Thienopyrimidine - 1-benzothiophene - 2-bromophenol - Azepine - 1-hydroxy-4-unsubstituted benzenoid - Pyrimidone - Benzenoid - Aryl halide - Pyrimidine - Aryl bromide - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen 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 | 365.200 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 363.988 Da |
| Monoisotopic Mass | 363.988 Da |
| Topological Polar Surface Area | 81.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 486.000 |
| 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 |
![3-bromo-4-hydroxy-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one - ≥98% , CAS No.136824-98-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)