2BG
Summary
| Name: | 1-(1,3-benzothiazol-2-yl)methanamine |
| Formula: | C8 H8 N2 S |
| Formal charge: | 0 |
| Formula weight: | 164.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1,3-benzothiazol-2-yl)methanamine |
| OpenEye OEToolkits | 1.7.6 | 1,3-benzothiazol-2-ylmethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c2ccccc2sc1CN |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2 |
| InChIKey | InChI | 1.03 | VLBUERZRFSORRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1sc2ccccc2n1 |
| SMILES | CACTVS | 3.385 | NCc1sc2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)nc(s2)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)nc(s2)CN |
