6-amino-8-(thiophen-2-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(thiophen-2-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
6-amino-8-(thiophen-2-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8001-1151 |
| Compound Name: | 6-amino-8-(thiophen-2-yl)-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C16 H12 N4 S2 |
| Smiles: | C1C=C2C(CS1)C(c1cccs1)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5176 |
| logD: | 2.5175 |
| logSw: | -2.7102 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.373 |
| InChI Key: | CCKWFVSTTBMJRJ-UHFFFAOYSA-N |