S-{[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)sulfanyl]methyl} O,O-diethyl phosphorodithioate
Chemical Structure Depiction of
S-{[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)sulfanyl]methyl} O,O-diethyl phosphorodithioate
S-{[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)sulfanyl]methyl} O,O-diethyl phosphorodithioate
Compound characteristics
| Compound ID: | 2104-0082 |
| Compound Name: | S-{[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)sulfanyl]methyl} O,O-diethyl phosphorodithioate |
| Molecular Weight: | 399.87 |
| Molecular Formula: | C12 H15 Cl N O4 P S3 |
| Smiles: | CCOP(OCC)(=S)SCSN1C(=O)Oc2cc(ccc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.769 |
| logD: | 4.769 |
| logSw: | -5.1813 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 38.056 |
| InChI Key: | GIXRSQVZDSRUFU-UHFFFAOYSA-N |