≥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.
| Sonrisas canónicas | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=NNC(=S)N=C42 |
|---|---|
| IUPAC Name | 5-benzyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione |
| InChIKey | CMWAFGJNLNZSMR-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N4S/c21-16-17-15-14(18-19-16)12-8-4-5-9-13(12)20(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19,21) |
| Isómeros SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=NNC(=S)N=C42 |
| PubChem CID | 695347 |
| Peso molecular | 292.36 |
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 |
| Clase | Indoles and derivatives |
| Subclass | N-alkylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylindoles |
| Alternative Parents | Indoles Triazinethiones Substituted pyrroles Benzene and substituted derivatives 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-alkylindole - Indole - Triazinethione - Monocyclic benzene moiety - Substituted pyrrole - Triazine - 1,2,4-triazine - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. |
| External Descriptors | Not available |
| Peso molecular | 292.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 292.078 Da |
| Monoisotopic Mass | 292.078 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 493.000 |
| 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 |
![5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol - ≥95% , CAS No.36047-60-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)