YPN
Summary
| Name: | 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL |
| Formula: | C7 H8 Cl N O S |
| Formal charge: | 0 |
| Formula weight: | 189.663 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(5-chloranylpyridin-2-yl)sulfanylethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2 |
| InChIKey | InChI | 1.03 | KLOJLJIHCJJDCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCSc1ccc(Cl)cn1 |
| SMILES | CACTVS | 3.385 | OCCSc1ccc(Cl)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1Cl)SCCO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1Cl)SCCO |
