1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl thiocyanate
Chemical Structure Depiction of
1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl thiocyanate
1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl thiocyanate
Compound characteristics
| Compound ID: | 8015-6403 |
| Compound Name: | 1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl thiocyanate |
| Molecular Weight: | 196.27 |
| Molecular Formula: | C8 H12 N4 S |
| Smiles: | C1C2(CN3CN1CN(C2)C3)SC#N |
| Stereo: | ACHIRAL |
| logP: | 0.4922 |
| logD: | 0.4858 |
| logSw: | -0.9142 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.8262 |
| InChI Key: | PMXBOTGQXXHTDO-UHFFFAOYSA-N |