sodium--S-(2-{[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-2-oxoethyl) sulfurothioate (1/1)
Chemical Structure Depiction of
sodium--S-(2-{[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-2-oxoethyl) sulfurothioate (1/1)
sodium--S-(2-{[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-2-oxoethyl) sulfurothioate (1/1)
Compound characteristics
| Compound ID: | 8009-7611 |
| Compound Name: | sodium--S-(2-{[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-2-oxoethyl) sulfurothioate (1/1) |
| Molecular Weight: | 433.45 |
| Molecular Formula: | C13 H16 N O8 S3 |
| Salt: | Na+ |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSS([O-])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4544 |
| logD: | -1.2494 |
| logSw: | -1.6899 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.649 |
| InChI Key: | JSEPBNSTVBFHSQ-UHFFFAOYSA-M |