IV2
Summary
| Name: | 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine |
| Formula: | C8 H7 Cl N2 S |
| Formal charge: | 0 |
| Formula weight: | 198.673 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-4-methyl-1,3-benzothiazol-2-amine |
| OpenEye OEToolkits | 1.7.6 | 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(c2nc(sc2cc1)N)C |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11) |
| InChIKey | InChI | 1.03 | ORCGZHQFPODCCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Cl)ccc2sc(N)nc12 |
| SMILES | CACTVS | 3.385 | Cc1c(Cl)ccc2sc(N)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(ccc2c1nc(s2)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(ccc2c1nc(s2)N)Cl |
