16R
Summary
| Name: | (methylsulfanyl)benzene |
| Synonyms: | methyl phenyl sulfide |
| Formula: | C7 H8 S |
| Formal charge: | 0 |
| Formula weight: | 124.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (methylsulfanyl)benzene |
| OpenEye OEToolkits | 1.7.6 | methylsulfanylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | HNKJADCVZUBCPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1 |
| SMILES | CACTVS | 3.385 | CSc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CSc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSc1ccccc1 |
