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Summary
| Name: | 2-(propylsulfanyl)ethanol |
| Formula: | C5 H12 O S |
| Formal charge: | 0 |
| Formula weight: | 120.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(propylsulfanyl)ethanol |
| OpenEye OEToolkits | 1.5.0 | 2-propylsulfanylethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCCSCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCSCCO |
| SMILES | CACTVS | 3.341 | CCCSCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCSCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCSCCO |
| InChI | InChI | 1.03 | InChI=1S/C5H12OS/c1-2-4-7-5-3-6/h6H,2-5H2,1H3 |
| InChIKey | InChI | 1.03 | KCWWXXYQPUDKBX-UHFFFAOYSA-N |
