2-[(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
2-[(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 8011-8214 |
| Compound Name: | 2-[(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 281.31 |
| Molecular Formula: | C10 H7 N3 O3 S2 |
| Smiles: | c1ccc(C(NC2=NNC(=S)S2)=O)c(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2315 |
| logD: | -5.4825 |
| logSw: | -2.2643 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.219 |
| InChI Key: | JEXADIMZJDHSDJ-UHFFFAOYSA-N |