2-{[1,1-dichloro-3-nitro-3-(1,3-oxathiolan-2-ylidene)prop-1-en-2-yl]sulfanyl}ethan-1-ol
Chemical Structure Depiction of
2-{[1,1-dichloro-3-nitro-3-(1,3-oxathiolan-2-ylidene)prop-1-en-2-yl]sulfanyl}ethan-1-ol
2-{[1,1-dichloro-3-nitro-3-(1,3-oxathiolan-2-ylidene)prop-1-en-2-yl]sulfanyl}ethan-1-ol
Compound characteristics
| Compound ID: | 4872-0443 |
| Compound Name: | 2-{[1,1-dichloro-3-nitro-3-(1,3-oxathiolan-2-ylidene)prop-1-en-2-yl]sulfanyl}ethan-1-ol |
| Molecular Weight: | 318.19 |
| Molecular Formula: | C8 H9 Cl2 N O4 S2 |
| Smiles: | C(CSC(\C(=C1/OCCS1)[N+]([O-])=O)=C([Cl])[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 1.9983 |
| logD: | 1.9983 |
| logSw: | -2.25 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.39 |
| InChI Key: | YMUKEFHYRDMVMH-YVMONPNESA-N |