2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-1,3-dithiolane
Chemical Structure Depiction of
2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-1,3-dithiolane
2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-1,3-dithiolane
Compound characteristics
| Compound ID: | 4872-0431 |
| Compound Name: | 2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-1,3-dithiolane |
| Molecular Weight: | 366.3 |
| Molecular Formula: | C12 H9 Cl2 N O2 S3 |
| Smiles: | C1CSC(=C(C(=C([Cl])[Cl])Sc2ccccc2)[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.9457 |
| logD: | 4.9457 |
| logSw: | -5.0531 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 33.084 |
| InChI Key: | AHIXWKIVXJUNMP-UHFFFAOYSA-N |