2-[(azepane-1-carbothioyl)sulfanyl]-2-methylpropanoic acid
Chemical Structure Depiction of
2-[(azepane-1-carbothioyl)sulfanyl]-2-methylpropanoic acid
2-[(azepane-1-carbothioyl)sulfanyl]-2-methylpropanoic acid
Compound characteristics
| Compound ID: | 4349-0063 |
| Compound Name: | 2-[(azepane-1-carbothioyl)sulfanyl]-2-methylpropanoic acid |
| Molecular Weight: | 261.4 |
| Molecular Formula: | C11 H19 N O2 S2 |
| Smiles: | CC(C)(C(O)=O)SC(N1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0026 |
| logD: | 0.895 |
| logSw: | -2.872 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.069 |
| InChI Key: | QFCXAXDOANVCCO-UHFFFAOYSA-N |