K9S
Summary
| Name: | 1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE |
| Formula: | C9 H9 N S |
| Formal charge: | 0 |
| Formula weight: | 163.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1-benzothiophen-3-yl)methanamine |
| OpenEye OEToolkits | 1.9.2 | 1-benzothiophen-3-ylmethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | s2c1ccccc1c(c2)CN |
| InChI | InChI | 1.03 | InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2 |
| InChIKey | InChI | 1.03 | WHTPXNOFEHTZAD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1csc2ccccc12 |
| SMILES | CACTVS | 3.385 | NCc1csc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(cs2)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(cs2)CN |
