5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
Chemical Structure Depiction of
5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
Compound characteristics
| Compound ID: | 5108-0564 |
| Compound Name: | 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C11 H8 N6 O2 S3 |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)SC1=NN(C(=S)S1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1096 |
| logD: | 3.1096 |
| logSw: | -3.3978 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.422 |
| InChI Key: | GTWAUJKYNVAJQD-UHFFFAOYSA-N |