methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate
methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1788 |
| Compound Name: | methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 283.37 |
| Molecular Formula: | C11 H13 N3 O2 S2 |
| Smiles: | CN(CCC#N)C(Nc1ccsc1C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 1.6052 |
| logD: | 1.6048 |
| logSw: | -2.289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.875 |
| InChI Key: | RGUDMEUVYOPXIH-UHFFFAOYSA-N |