2-[(4-methylbenzene-1-sulfonyl)amino]-2-oxoethyl thiocyanate
Chemical Structure Depiction of
2-[(4-methylbenzene-1-sulfonyl)amino]-2-oxoethyl thiocyanate
2-[(4-methylbenzene-1-sulfonyl)amino]-2-oxoethyl thiocyanate
Compound characteristics
| Compound ID: | 0783-0155 |
| Compound Name: | 2-[(4-methylbenzene-1-sulfonyl)amino]-2-oxoethyl thiocyanate |
| Molecular Weight: | 270.33 |
| Molecular Formula: | C10 H10 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NC(CSC#N)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1002 |
| logD: | -2.0463 |
| logSw: | -2.543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.922 |
| InChI Key: | KNKRIXJWXLKGBL-UHFFFAOYSA-N |