1-Isothiocyanato-2-Methylpropane
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3593941 | |
| PubChem: | 68960 | |
| IUPAC: | 1-isothiocyanato-2-methylpropane | |
| Standard InChI: | InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3 | |
| Standard InChI Key: | NSDDRJXKROCWRZ-UHFFFAOYSA-N | |
| SMILES: | CC(CN=C=S)C | |
Molecular propeties
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| AlogP: | 1.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 115.05 | |
| Topological polar surface area: | 44.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 5 | |