A1CP5
Summary
| Name: | 5-chloro-1,3-benzothiazol-2(3H)-one |
| Formula: | C7 H4 Cl N O S |
| Formal charge: | 0 |
| Formula weight: | 185.631 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-chloro-1,3-benzothiazol-2(3H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 5-chloranyl-3~{H}-1,3-benzothiazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc2NC(=O)Sc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) |
| InChIKey | InChI | 1.06 | NOVHYVKPKWACML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2SC(=O)Nc2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2SC(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)NC(=O)S2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)NC(=O)S2 |
