MWP
Summary
| Name: | 1-benzothiophen-6-amine 1,1-dioxide |
| Synonyms: | 6-amino-benzothiophene-1,1-dione |
| Formula: | C8 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 181.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-benzothiophen-6-amine 1,1-dioxide |
| OpenEye OEToolkits | 1.7.6 | 1,1-bis(oxidanylidene)-1-benzothiophen-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S2(=O)c1cc(ccc1C=C2)N |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2 |
| InChIKey | InChI | 1.03 | KRUCRVZSHWOMHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc2C=C[S](=O)(=O)c2c1 |
| SMILES | CACTVS | 3.370 | Nc1ccc2C=C[S](=O)(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)S(=O)(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)S(=O)(=O)C=C2 |
