3-Methylsulfanylpropanal
Representations & DB's id
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| ChEBI: | CHEBI:49017 | |
|---|---|---|
| ChEMBL: | CHEMBL333298 | |
| PubChem: | 18635 | |
| IUPAC: | 3-methylsulfanylpropanal | |
| Standard InChI: | InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3 | |
| Standard InChI Key: | CLUWOWRTHNNBBU-UHFFFAOYSA-N | |
| SMILES: | CSCCC=O | |
Molecular propeties
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| AlogP: | 0.94 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 104.03 | |
| Topological polar surface area: | 42.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 4 | |