1-Isothiocyanato-3-Methylsulfanylpropane
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3186484 | |
| PubChem: | 62351 | |
| IUPAC: | 1-isothiocyanato-3-methylsulfanylpropane | |
| Standard InChI: | InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3 | |
| Standard InChI Key: | LDKSCZJUIURGMW-UHFFFAOYSA-N | |
| SMILES: | CSCCCN=C=S | |
Molecular propeties
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| AlogP: | 1.84 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 147.02 | |
| Topological polar surface area: | 69.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 5 | |