≥95% 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.
| Sonrisas canónicas | C1=CC(=CC=C1CSC2=NN=CC(=O)N2N)Br |
|---|---|
| IUPAC Name | 4-amino-3-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazin-5-one |
| InChIKey | WKWCEWARJNPVQD-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BrN4OS/c11-8-3-1-7(2-4-8)6-17-10-14-13-5-9(16)15(10)12/h1-5H,6,12H2 |
| Peso molecular | 313.180 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Bromobenzenes Alkylarylthioethers Aryl bromides 1,2,4-triazines Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Triazine - 1,2,4-triazine - Benzenoid - Heteroaromatic compound - Lactam - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 313.180 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 311.968 Da |
| Monoisotopic Mass | 311.968 Da |
| Topological Polar Surface Area | 96.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
![4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one - ≥95% , CAS No.691860-50-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)