3-{[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamothioyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamothioyl]amino}benzoic acid
3-{[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamothioyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4912-0947 |
| Compound Name: | 3-{[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamothioyl]amino}benzoic acid |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C12 H14 N2 O4 S2 |
| Smiles: | C1CS(CC1NC(Nc1cccc(c1)C(O)=O)=S)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.269 |
| logD: | -1.6169 |
| logSw: | -2.1156 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.954 |
| InChI Key: | BJGHXGCBWSTMNK-SNVBAGLBSA-N |