≥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.
| ALogP | 1.9 |
|---|
| Canonical Smiles | CN1C2=C(C3=C1C(=O)NN=C3)SC(=C2)Br |
|---|---|
| IUPAC Name | 4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one |
| InChIKey | LURUPZWERKCJOR-UHFFFAOYSA-N |
| INCHI | 1S/C9H6BrN3OS/c1-13-5-2-6(10)15-8(5)4-3-11-12-9(14)7(4)13/h2-3H,1H3,(H,12,14) |
| Isomeric SMILES | CN1C2=C(C3=C1C(=O)NN=C3)SC(=C2)Br |
| PubChem CID | 58386861 |
| Molecular Weight | 284.13 |
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 | Thienopyrroles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrroles |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Pyridazinones N-methylpyrroles Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,3,5-trisubstituted thiophene - Thienopyrrole - Pyridazinone - Aryl bromide - Aryl halide - N-methylpyrrole - Pyridazine - Substituted pyrrole - Heteroaromatic compound - Thiophene - Pyrrole - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyrroles. These are heterocyclic compounds containing a thiophene ring fused to a pyrrole ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 284.130 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 282.942 Da |
| Monoisotopic Mass | 282.942 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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-Bromo-4-methyl-4H-thieno[2'，3':4，5]pyrrolo[2，3-d]pyridazin-5(6H)-one - ≥98% CAS No(1221186-56-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/7/B734329.jpg)