methyl 2,1,3-benzothiadiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2,1,3-benzothiadiazole-5-carboxylate
methyl 2,1,3-benzothiadiazole-5-carboxylate
Compound characteristics
| Compound ID: | 5408-0512 |
| Compound Name: | methyl 2,1,3-benzothiadiazole-5-carboxylate |
| Molecular Weight: | 194.21 |
| Molecular Formula: | C8 H6 N2 O2 S |
| Smiles: | COC(c1ccc2c(c1)nsn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3465 |
| logD: | 2.3465 |
| logSw: | -2.6555 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.595 |
| InChI Key: | LRMFSMKHXKDUDG-UHFFFAOYSA-N |