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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 | CC(=C)CN1C(=NNC1=S)CCN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl |
|---|---|
| IUPAC Name | 3-[2-(3,6-dichlorocarbazol-9-yl)ethyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione |
| InChIKey | AONPIOZMEQYYBK-UHFFFAOYSA-N |
| INCHI | 1S/C20H18Cl2N4S/c1-12(2)11-26-19(23-24-20(26)27)7-8-25-17-5-3-13(21)9-15(17)16-10-14(22)4-6-18(16)25/h3-6,9-10H,1,7-8,11H2,2H3,(H,24,27) |
| Molecular Weight | 417.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Carbazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carbazoles |
| Alternative Parents | N-alkylindoles Indoles Substituted pyrroles Benzenoids Aryl chlorides Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Carbazole - N-alkylindole - Indole - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Azole - Triazoline - Pyrrole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 417.400 g/mol |
|---|---|
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 416.063 Da |
| Monoisotopic Mass | 416.063 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 613.000 |
| 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 |