3-(carbamothioylcarbamoyl)but-3-enoic acid
Chemical Structure Depiction of
3-(carbamothioylcarbamoyl)but-3-enoic acid
3-(carbamothioylcarbamoyl)but-3-enoic acid
Compound characteristics
| Compound ID: | 8011-1457 |
| Compound Name: | 3-(carbamothioylcarbamoyl)but-3-enoic acid |
| Molecular Weight: | 188.2 |
| Molecular Formula: | C6 H8 N2 O3 S |
| Smiles: | C=C(CC(O)=O)C(NC(N)=S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7816 |
| logD: | -3.495 |
| logSw: | -1.2477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 72.656 |
| InChI Key: | HGNFNNLYDFZCEF-UHFFFAOYSA-N |