3,4-diamino-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
3,4-diamino-2H-1-benzothiopyran-2-one
3,4-diamino-2H-1-benzothiopyran-2-one
Compound characteristics
| Compound ID: | 1069-0050 |
| Compound Name: | 3,4-diamino-2H-1-benzothiopyran-2-one |
| Molecular Weight: | 192.24 |
| Molecular Formula: | C9 H8 N2 O S |
| Smiles: | c1ccc2c(c1)C(=C(C(=O)S2)N)N |
| Stereo: | ACHIRAL |
| logP: | 0.9113 |
| logD: | 0.8392 |
| logSw: | -2.0458 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 55.445 |
| InChI Key: | NNLVUNPVYAUDLH-UHFFFAOYSA-N |