| Canonical Smiles | C1C2=C(C=CC(=C2)N)NS1(=O)=O |
|---|---|
| IUPAC Name | 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine |
| InChIKey | ITXAMJIWJHTZRH-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2O2S/c8-6-1-2-7-5(3-6)4-12(10,11)9-7/h1-3,9H,4,8H2 |
| Molecular Weight | 184.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Organosulfonamides Organic sulfonamides Benzenoids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2-benzothiazole - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 184.220 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 184.031 Da |
| Monoisotopic Mass | 184.031 Da |
| Topological Polar Surface Area | 80.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 270.000 |
| 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 |
![5-Amino-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide - ≥95% , CAS No.496055-43-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)