| Canonical Smiles | C1=CC=C2C(=C1)C3=CC=CC=C3NC2=S |
|---|---|
| IUPAC Name | 5H-phenanthridine-6-thione |
| InChIKey | NCIDEKDUBRWLJO-UHFFFAOYSA-N |
| INCHI | 1S/C13H9NS/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15) |
| Molecular Weight | 211.28 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Benzoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthridines and derivatives |
| Alternative Parents | Isoquinolines and derivatives Pyridines and derivatives Benzenoids Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenanthridine - Isoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. |
| External Descriptors | Not available |
| Molecular Weight | 211.280 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 211.046 Da |
| Monoisotopic Mass | 211.046 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| 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 |
