4-Isothiocyanatobut-1-Ene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3593942 | |
| PubChem: | 76922 | |
| IUPAC: | 4-isothiocyanatobut-1-ene | |
| Standard InChI: | InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2 | |
| Standard InChI Key: | SKIHGKNFJKJXPX-UHFFFAOYSA-N | |
| SMILES: | C=CCCN=C=S | |
Molecular propeties
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| AlogP: | 1.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 113.03 | |
| Topological polar surface area: | 44.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 5 | |