S-{2-anilino-2-[(4-methylbenzene-1-sulfonyl)imino]ethyl} carbamothioate
Chemical Structure Depiction of
S-{2-anilino-2-[(4-methylbenzene-1-sulfonyl)imino]ethyl} carbamothioate
S-{2-anilino-2-[(4-methylbenzene-1-sulfonyl)imino]ethyl} carbamothioate
Compound characteristics
| Compound ID: | 2018-0418 |
| Compound Name: | S-{2-anilino-2-[(4-methylbenzene-1-sulfonyl)imino]ethyl} carbamothioate |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C16 H17 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(/N=C(/CSC(N)=O)Nc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4467 |
| logD: | 2.4467 |
| logSw: | -2.7971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.604 |
| InChI Key: | IDFIFTQBMBQXDN-UHFFFAOYSA-N |