2-[2-(benzylsulfanyl)-3,3-dichloro-1-nitroprop-2-en-1-ylidene]-1,3-dithiolane
Chemical Structure Depiction of
2-[2-(benzylsulfanyl)-3,3-dichloro-1-nitroprop-2-en-1-ylidene]-1,3-dithiolane
2-[2-(benzylsulfanyl)-3,3-dichloro-1-nitroprop-2-en-1-ylidene]-1,3-dithiolane
Compound characteristics
| Compound ID: | 4872-0490 |
| Compound Name: | 2-[2-(benzylsulfanyl)-3,3-dichloro-1-nitroprop-2-en-1-ylidene]-1,3-dithiolane |
| Molecular Weight: | 380.33 |
| Molecular Formula: | C13 H11 Cl2 N O2 S3 |
| Smiles: | C1CSC(=C(C(=C([Cl])[Cl])SCc2ccccc2)[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7095 |
| logD: | 4.7095 |
| logSw: | -4.9761 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 33.084 |
| InChI Key: | YQAWXJJXHAXEEE-UHFFFAOYSA-N |