4-{[(diethylcarbamothioyl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(diethylcarbamothioyl)sulfanyl]methyl}benzoic acid
4-{[(diethylcarbamothioyl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 6220-9213 |
| Compound Name: | 4-{[(diethylcarbamothioyl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 283.41 |
| Molecular Formula: | C13 H17 N O2 S2 |
| Smiles: | CCN(CC)C(=S)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.315 |
| logD: | 0.3435 |
| logSw: | -3.3185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.7505 |
| InChI Key: | CRJNLIRERMFRMT-UHFFFAOYSA-N |