| Sonrisas canónicas | C1=CC2=C(C=C1Cl)SC(=N2)N.Cl |
|---|---|
| IUPAC Name | 6-chloro-1,3-benzothiazol-2-amine;hydrochloride |
| InChIKey | ZVRNKXUJEHKKHW-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClN2S.ClH/c8-4-1-2-5-6(3-4)11-7(9)10-5;/h1-3H,(H2,9,10);1H |
| Isómeros SMILES | C1=CC2=C(C=C1Cl)SC(=N2)N.Cl |
| PubChem CID | 112751 |
| Peso molecular | 221.11 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Benzenoids Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Aryl chloride - Aryl halide - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
| Peso molecular | 221.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 219.963 Da |
| Monoisotopic Mass | 219.963 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 | 2 |
