3,5-bis{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
3,5-bis{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine
3,5-bis{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | 8014-2331 |
| Compound Name: | 3,5-bis{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C18 H14 N6 S4 |
| Smiles: | C(c1nnc(CSc2nc3ccccc3s2)n1N)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.333 |
| logD: | 4.3329 |
| logSw: | -4.5808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.673 |
| InChI Key: | IFFDSRHSEIMHTN-UHFFFAOYSA-N |