4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one
Chemical Structure Depiction of
4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one
4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one
Compound characteristics
| Compound ID: | 8019-8887 |
| Compound Name: | 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methyl-2H-1,3-dioxol-2-one |
| Molecular Weight: | 279.33 |
| Molecular Formula: | C12 H9 N O3 S2 |
| Smiles: | CC1=C(CSc2nc3ccccc3s2)OC(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.9205 |
| logD: | 2.9205 |
| logSw: | -3.1659 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.467 |
| InChI Key: | GLQNMEVKXRDBML-UHFFFAOYSA-N |