TL;DR: Bis(pentafluorobenzyl)disulfide (CAS 119951-95-0) is a chemical compound with molecular formula C14H4F10S2 and molecular weight 425.95947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentafluoro-6-[[(2,3,4,5,6-pentafluorophenyl)methyldisulfanyl]methyl]benzene
Also Known As: BPFBD, Bis(pentafluorobenzyl)disulfide, bis(pentafluorobenzyl)disulphide, Disulfide, bis((pentafluorophenyl)methyl), Disulfide, bis[(pentafluorophenyl)methyl]
| Molecular Formula | C14H4F10S2 |
| Molecular Weight | 425.95947 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.95947 Da |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)SSCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | DLUBXOQTTCKMMT-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Bis(pentafluorobenzyl)disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Bis(pentafluorobenzyl)disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(pentafluorobenzyl)disulfide has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bis(pentafluorobenzyl)disulfide is 119951-95-0.
The molecular formula of Bis(pentafluorobenzyl)disulfide is C14H4F10S2.
The molecular weight of Bis(pentafluorobenzyl)disulfide is 425.95947 g/mol.
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