| Sonrisas canónicas | C1=CC=C2C(=C1)NC3=C(S2)C=CC=C3Cl |
|---|---|
| IUPAC Name | 1-chloro-10H-phenothiazine |
| InChIKey | TUZVTRCMDIUEBE-UHFFFAOYSA-N |
| INCHI | 1S/C12H8ClNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H |
| Isómeros SMILES | C1=CC=C2C(=C1)NC3=C(S2)C=CC=C3Cl |
| PubChem CID | 350922 |
| Peso molecular | 233.71 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzothiazines |
| Subclass | Phenothiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenothiazines |
| Alternative Parents | Diarylthioethers Benzenoids Aryl chlorides 1,4-thiazines Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenothiazine - Diarylthioether - Aryl thioether - Para-thiazine - Aryl chloride - Aryl halide - Benzenoid - Azacycle - Secondary amine - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. |
| External Descriptors | Not available |
| Peso molecular | 233.720 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 233.007 Da |
| Monoisotopic Mass | 233.007 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 236.000 |
| 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 |
