3-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione
3-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | 8019-0567 |
| Compound Name: | 3-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 280.32 |
| Molecular Formula: | C10 H8 N4 O2 S2 |
| Smiles: | C1=C(c2ccccc2S1(=O)=O)Sc1nnc(N)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.056 |
| logD: | -0.6454 |
| logSw: | -2.2011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.024 |
| InChI Key: | YXAVCNJPMBMCPC-UHFFFAOYSA-N |