2D0
Summary
| Name: | 4-chloro-1,3-benzothiazol-2-amine |
| Formula: | C7 H5 Cl N2 S |
| Formal charge: | 0 |
| Formula weight: | 184.646 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-1,3-benzothiazol-2-amine |
| OpenEye OEToolkits | 1.7.6 | 4-chloranyl-1,3-benzothiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2cccc1sc(nc12)N |
| InChI | InChI | 1.03 | InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10) |
| InChIKey | InChI | 1.03 | OEQQFQXMCPMEIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cccc(Cl)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1sc2cccc(Cl)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)Cl)nc(s2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)Cl)nc(s2)N |
