KT6
Summary
| Name: | 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide |
| Synonyms: | 5,6-Dichloro-2-(2-hydroxyethyl)-1,2-benzisothiazol-3-one (reacted form of) |
| Formula: | C9 H9 Cl2 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 266.144 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,5-bis(chloranyl)-~{N}-(2-hydroxyethyl)-2-sulfanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14) |
| InChIKey | InChI | 1.06 | QAWZKMJXXMSMKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNC(=O)c1cc(Cl)c(Cl)cc1S |
| SMILES | CACTVS | 3.385 | OCCNC(=O)c1cc(Cl)c(Cl)cc1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO |
