S-[2-(3-chloro-2-methylanilino)-2-oxoethyl] carbamothioate
Chemical Structure Depiction of
S-[2-(3-chloro-2-methylanilino)-2-oxoethyl] carbamothioate
S-[2-(3-chloro-2-methylanilino)-2-oxoethyl] carbamothioate
Compound characteristics
| Compound ID: | 8008-1862 |
| Compound Name: | S-[2-(3-chloro-2-methylanilino)-2-oxoethyl] carbamothioate |
| Molecular Weight: | 258.72 |
| Molecular Formula: | C10 H11 Cl N2 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6126 |
| logD: | 1.6125 |
| logSw: | -2.359 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.974 |
| InChI Key: | MIVRALCNDROBHX-UHFFFAOYSA-N |