Isopropyl Isothiocyanate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2208211 | |
| PubChem: | 75263 | |
| IUPAC: | 2-isothiocyanatopropane | |
| Standard InChI: | InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3 | |
| Standard InChI Key: | VHBFEIBMZHEWSX-UHFFFAOYSA-N | |
| SMILES: | CC(N=C=S)C | |
Molecular propeties
| ||
| AlogP: | 1.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 101.03 | |
| Topological polar surface area: | 44.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 4 | |