4H2
Summary
| Name: | 4-methylpyridine-2(1H)-thione |
| Formula: | C6 H7 N S |
| Formal charge: | 0 |
| Formula weight: | 125.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methylpyridine-2(1H)-thione |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-1H-pyridine-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1C=C(C=CN1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H7NS/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | KGYJCSZMSPBJFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=S)NC=C1 |
| SMILES | CACTVS | 3.385 | CC1=CC(=S)NC=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=S)NC=C1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=S)NC=C1 |
