S-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate
Chemical Structure Depiction of
S-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate
S-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate
Compound characteristics
| Compound ID: | C321-0025 |
| Compound Name: | S-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate |
| Molecular Weight: | 280.36 |
| Molecular Formula: | C12 H12 N2 O2 S2 |
| Smiles: | [H]c1ccc2c(c1)SC(=N/C(CSC(C)=O)=O)\N2C |
| Stereo: | ACHIRAL |
| logP: | 1.7932 |
| logD: | 1.7932 |
| logSw: | -2.1709 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 38.714 |
| InChI Key: | LZGQJWMKQSMEDP-UHFFFAOYSA-N |