| Canonical Smiles | C1=CC=C(C=C1)C2=NN=C(S2)C=O |
|---|---|
| IUPAC Name | 5-phenyl-1,3,4-thiadiazole-2-carbaldehyde |
| InChIKey | SKGLVVWEUSDARD-UHFFFAOYSA-N |
| INCHI | 1S/C9H6N2OS/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-6H |
| Molecular Weight | 190.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Aryl-aldehydes |
| Alternative Parents | Benzene and substituted derivatives Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 190.220 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.02 Da |
| Monoisotopic Mass | 190.02 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 182.000 |
| 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 |
