4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoic acid
4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8011-5134 |
| Compound Name: | 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 267.33 |
| Molecular Formula: | C10 H9 N3 O2 S2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Sc1nnc(N)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.7682 |
| logD: | -1.2033 |
| logSw: | -2.1895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.038 |
| InChI Key: | QJKNFSPAYVEYDX-UHFFFAOYSA-N |