S-phenyl [5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamothioate
Chemical Structure Depiction of
S-phenyl [5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamothioate
S-phenyl [5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamothioate
Compound characteristics
| Compound ID: | 6594-0299 |
| Compound Name: | S-phenyl [5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamothioate |
| Molecular Weight: | 375.75 |
| Molecular Formula: | C15 H9 Cl F3 N O3 S |
| Smiles: | c1ccc(cc1)SC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9538 |
| logD: | 2.308 |
| logSw: | -5.2018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.507 |
| InChI Key: | DHSJNJDPMPMLEM-HNNXBMFYSA-N |