2-(adamantan-1-yl)-2-oxoethyl thiocyanate
Chemical Structure Depiction of
2-(adamantan-1-yl)-2-oxoethyl thiocyanate
2-(adamantan-1-yl)-2-oxoethyl thiocyanate
Compound characteristics
| Compound ID: | 0162-0031 |
| Compound Name: | 2-(adamantan-1-yl)-2-oxoethyl thiocyanate |
| Molecular Weight: | 235.35 |
| Molecular Formula: | C13 H17 N O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(CSC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5649 |
| logD: | 3.5649 |
| logSw: | -3.7668 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.3153 |
| InChI Key: | OKQNTQZCMNRWEL-UHFFFAOYSA-N |