02T
Summary
| Name: | 1-(3-methylthiophen-2-yl)methanamine |
| Formula: | C6 H9 N S |
| Formal charge: | 0 |
| Formula weight: | 127.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-methylthiophen-2-yl)methanamine |
| OpenEye OEToolkits | 1.7.2 | (3-methylthiophen-2-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | s1c(c(cc1)C)CN |
| InChI | InChI | 1.03 | InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3 |
| InChIKey | InChI | 1.03 | SWZNXCABBUKIPZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccsc1CN |
| SMILES | CACTVS | 3.370 | Cc1ccsc1CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccsc1CN |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccsc1CN |
