3-(methylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Chemical Structure Depiction of
3-(methylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
3-(methylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Compound characteristics
| Compound ID: | 4065-0409 |
| Compound Name: | 3-(methylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Molecular Weight: | 221.3 |
| Molecular Formula: | C9 H7 N3 S2 |
| Smiles: | CSc1nnc2n1c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.5491 |
| logD: | 2.5491 |
| logSw: | -2.3586 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.5782 |
| InChI Key: | CBORUMKHTLMDNG-UHFFFAOYSA-N |