ethyl 2-{[(methylsulfanyl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(methylsulfanyl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(methylsulfanyl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8318 |
| Compound Name: | ethyl 2-{[(methylsulfanyl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 315.47 |
| Molecular Formula: | C13 H17 N O2 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(=S)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9746 |
| logD: | -0.0624 |
| logSw: | -4.0918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.0131 |
| InChI Key: | RMNFVEIFRCKOBS-UHFFFAOYSA-N |