TL;DR: 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide (CAS 133831-61-5) is a chemical compound with molecular formula C8H4Cl2FNO2S2 and molecular weight 298.90445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,2-dichloro-1-fluoroethenyl)disulfanyl]-2-nitrobenzene
Also Known As: 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide, Disulfide, 2,2-dichloro-1-fluoroethenyl 2-nitrophenyl, 1-[(2,2-dichloro-1-fluoroethenyl)disulfanyl]-2-nitrobenzene, 1-[(2,2-Dichloro-1-fluoroethen-1-yl)disulfanyl]-2-nitrobenzene, AMC38W7BZW
| Molecular Formula | C8H4Cl2FNO2S2 |
| Molecular Weight | 298.90445 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.90445 Da |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SSC(=C(Cl)Cl)F |
| InChIKey | ACSIERCPHHBMPN-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide. Following Lipinski's Rule of Five, 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide is 133831-61-5.
The molecular formula of 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide is C8H4Cl2FNO2S2.
The molecular weight of 1-Fluoro-2,2-dichlorovinyl 2-nitrophenyl disulfide is 298.90445 g/mol.
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