3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-thiadiazole
Chemical Structure Depiction of
3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-thiadiazole
3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-thiadiazole
Compound characteristics
| Compound ID: | 4486-0091 |
| Compound Name: | 3,5-bis{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-thiadiazole |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C16 H12 N4 O4 S3 |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nc(SCc2ccc(cc2)[N+]([O-])=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.8095 |
| logD: | 4.8095 |
| logSw: | -4.9074 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.36 |
| InChI Key: | BOWOVUQNPGLGMO-UHFFFAOYSA-N |