2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-dithiolane
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-dithiolane
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-dithiolane
Compound characteristics
| Compound ID: | 4872-0352 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-dithiolane |
| Molecular Weight: | 380.33 |
| Molecular Formula: | C13 H11 Cl2 N O2 S3 |
| Smiles: | Cc1ccc(cc1)SC(C(=C1SCCS1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5541 |
| logD: | 5.5541 |
| logSw: | -5.975 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 33.084 |
| InChI Key: | OBDRADDFYYPHGK-UHFFFAOYSA-N |