Phenylisothiocyanate
Representations & DB's id
| ||
| ChEBI: | CHEBI:85103 | |
|---|---|---|
| ChEMBL: | CHEMBL309036 | |
| PubChem: | 7673 | |
| IUPAC: | isothiocyanatobenzene | |
| Standard InChI: | InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H | |
| Standard InChI Key: | QKFJKGMPGYROCL-UHFFFAOYSA-N | |
| SMILES: | S=C=Nc1ccccc1 | |
Molecular propeties
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| AlogP: | 2.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 135.01 | |
| Topological polar surface area: | 44.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 7 | |