| Sonrisas canónicas | CC1=C(NC(=S)N=C1)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | 5-methyl-6-phenyl-1H-pyrimidine-2-thione |
| InChIKey | AFFDJFDQEJGFDN-UHFFFAOYSA-N |
| INCHI | 1S/C11H10N2S/c1-8-7-12-11(14)13-10(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14) |
| Peso molecular | 202.28 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Benzenoid - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 202.280 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 202.056 Da |
| Monoisotopic Mass | 202.056 Da |
| Topological Polar Surface Area | 56.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 298.000 |
| 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 |
