S-{2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate
Chemical Structure Depiction of
S-{2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate
S-{2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate
Compound characteristics
| Compound ID: | C321-0009 |
| Compound Name: | S-{2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl} ethanethioate |
| Molecular Weight: | 310.39 |
| Molecular Formula: | C13 H14 N2 O3 S2 |
| Smiles: | CC(=O)SCC(/N=C1/N(C)c2ccc(cc2S1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9786 |
| logD: | 1.9786 |
| logSw: | -2.5743 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 46.258 |
| InChI Key: | SKPRTUADRWYLEU-UHFFFAOYSA-N |