2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl thiocyanate
Chemical Structure Depiction of
2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl thiocyanate
2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl thiocyanate
Compound characteristics
| Compound ID: | 0136-0243 |
| Compound Name: | 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl thiocyanate |
| Molecular Weight: | 252.35 |
| Molecular Formula: | C11 H12 N2 O S2 |
| Smiles: | CC(Nc1c(c2CCCCc2s1)SC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2869 |
| logD: | 2.2396 |
| logSw: | -2.4962 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.012 |
| InChI Key: | YOYWYLCOXSMKNU-UHFFFAOYSA-N |