2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxathiolane
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxathiolane
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxathiolane
Compound characteristics
| Compound ID: | 4872-0322 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxathiolane |
| Molecular Weight: | 364.27 |
| Molecular Formula: | C13 H11 Cl2 N O3 S2 |
| Smiles: | Cc1ccc(cc1)SC(\C(=C1/OCCS1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0286 |
| logD: | 5.0286 |
| logSw: | -5.0359 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.463 |
| InChI Key: | SSCNWUYNCDFPFD-UHFFFAOYSA-N |