YGV
Summary
| Name: | 1-chloro-2-(methylsulfanyl)benzene |
| Formula: | C7 H7 Cl S |
| Formal charge: | 0 |
| Formula weight: | 158.648 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-chloro-2-(methylsulfanyl)benzene |
| OpenEye OEToolkits | 2.0.7 | 1-chloranyl-2-methylsulfanyl-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSc1ccccc1Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | IHLDFHCSSCVPQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1Cl |
| SMILES | CACTVS | 3.385 | CSc1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1ccccc1Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1ccccc1Cl |
