2-Methyl-4-Propyl-1,3-Oxathiane
Representations & DB's id
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| ChEBI: | CHEBI:87335 | |
|---|---|---|
| ChEMBL: | CHEMBL3183970 | |
| PubChem: | 101010 | |
| IUPAC: | 2-methyl-4-propyl-1,3-oxathiane | |
| Standard InChI: | InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3 | |
| Standard InChI Key: | GKGOLPMYJJXRGD-UHFFFAOYSA-N | |
| SMILES: | CCCC1CCOC(S1)C | |
Molecular propeties
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| AlogP: | 2.65 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 160.09 | |
| Topological polar surface area: | 34.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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