S-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate
Chemical Structure Depiction of
S-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate
S-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate
Compound characteristics
| Compound ID: | 8007-4210 |
| Compound Name: | S-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C13 H13 N3 O2 S2 |
| Smiles: | CCc1nnc(NC(CSC(c2ccccc2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9557 |
| logD: | 2.9238 |
| logSw: | -3.3121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.428 |
| InChI Key: | JCDTUZHCKWYIII-UHFFFAOYSA-N |