5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-7-methoxy-2H-1,3-benzoxathiol-2-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-7-methoxy-2H-1,3-benzoxathiol-2-one--hydrogen chloride (1/1)
5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-7-methoxy-2H-1,3-benzoxathiol-2-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-4868 |
| Compound Name: | 5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-7-methoxy-2H-1,3-benzoxathiol-2-one--hydrogen chloride (1/1) |
| Molecular Weight: | 342.76 |
| Molecular Formula: | C11 H10 N6 O3 S |
| Salt: | HCl |
| Smiles: | COc1cc(/C=N/Nc2nncn2N)cc2c1OC(=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 0.7114 |
| logD: | 0.7114 |
| logSw: | -1.8796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.707 |
| InChI Key: | BWKCTWGPVUGHRH-YIXHJXPBSA-N |