ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-5386 |
| Compound Name: | ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 284.4 |
| Molecular Formula: | C12 H16 N2 O2 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5648 |
| logD: | 2.1546 |
| logSw: | -2.698 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 50.291 |
| InChI Key: | QIZMMLSECPIAHV-UHFFFAOYSA-N |