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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 | C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C4=NNC(=S)O4 |
|---|---|
| IUPAC Name | 5-(2-thiophen-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione |
| InChIKey | MDFLBIKCAUPZQQ-UHFFFAOYSA-N |
| INCHI | 1S/C15H9N3OS2/c20-15-18-17-14(19-15)10-8-12(13-6-3-7-21-13)16-11-5-2-1-4-9(10)11/h1-8H,(H,18,20) |
| Molecular Weight | 311.4 |
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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 | Pyridines and derivatives Benzenoids Thiophenes Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline - Pyridine - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - Thiophene - Heteroaromatic compound - Azacycle - Oxacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - 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 | 311.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 311.019 Da |
| Monoisotopic Mass | 311.019 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| 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 |