N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
Compound characteristics
| Compound ID: | Y501-6900 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea |
| Molecular Weight: | 237.34 |
| Molecular Formula: | C10 H11 N3 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(N)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.1025 |
| logD: | 2.043 |
| logSw: | -2.2837 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 46.593 |
| InChI Key: | RXFJFOVXELTSCW-UHFFFAOYSA-N |