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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 | CC1=CC2=NNC(=S)N2C3=C1C=CC(=C3)OC |
|---|---|
| IUPAC Name | 8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione |
| InChIKey | PSFXBSNENTWMFO-UHFFFAOYSA-N |
| INCHI | 1S/C12H11N3OS/c1-7-5-11-13-14-12(17)15(11)10-6-8(16-2)3-4-9(7)10/h3-6H,1-2H3,(H,14,17) |
| Molecular Weight | 245.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolines and derivatives |
| Alternative Parents | Triazolopyridines Anisoles Methylpyridines Alkyl aryl ethers Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline - Triazolopyridine - Anisole - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Ether - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Molecular Weight | 245.300 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 245.062 Da |
| Monoisotopic Mass | 245.062 Da |
| Topological Polar Surface Area | 69.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| 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 |