5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
Chemical Structure Depiction of
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | 7167-1699 |
| Compound Name: | 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C9 H5 N5 O2 S3 |
| Smiles: | Cc1nnc(Sc2ccc3c(c2[N+]([O-])=O)nsn3)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9515 |
| logD: | 2.9515 |
| logSw: | -3.2723 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.371 |
| InChI Key: | BDCHGVFJDUGZBN-UHFFFAOYSA-N |