3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione
3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | 8019-0561 |
| Compound Name: | 3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 280.32 |
| Molecular Formula: | C10 H8 N4 O2 S2 |
| Smiles: | Cn1c(nnn1)SC1=CS(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7917 |
| logD: | 0.7917 |
| logSw: | -2.1477 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.122 |
| InChI Key: | IWEJTTGZNQSLIV-UHFFFAOYSA-N |