3-(2-Hydroxyethylsulfanyl)Propan-1-Ol
Representations & DB's id
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| ChEBI: | CHEBI:87679 | |
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| ChEMBL: | CHEMBL1741874 | |
| PubChem: | 220278 | |
| IUPAC: | 3-(2-hydroxyethylsulfanyl)propan-1-ol | |
| Standard InChI: | InChI=1S/C5H12O2S/c6-2-1-4-8-5-3-7/h6-7H,1-5H2 | |
| Standard InChI Key: | YJGRQEWXDDCCCV-UHFFFAOYSA-N | |
| SMILES: | OCCSCCCO | |
Molecular propeties
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| AlogP: | 0.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 136.06 | |
| Topological polar surface area: | 65.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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