TL;DR: Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-) (CAS 159000-26-7) is a chemical compound with molecular formula C43H35BrNPSSn and molecular weight 827.04333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene;tetraphenylphosphanium;tin(4+);bromide;thiocyanate
Also Known As: Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-), Phosphonium, tetraphenyl-, bromotriphenyl(thiocyanato-N)stannate(1-), benzene; tetraphenylphosphanium; tin(4+); bromide; thiocyanate
| Molecular Formula | C43H35BrNPSSn |
| Molecular Weight | 827.04333 g/mol |
| XLogP | 5.40395 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 827.04333 Da |
| Heavy Atoms | 48 |
| Complexity | 424.0 |
| SMILES | C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)[S-].[Br-].[Sn+4] |
| InChIKey | KXABNDJGRIBYGE-UHFFFAOYSA-L |
The XLogP value of 5.40395 indicates that Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.8 Ų, Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-) is 159000-26-7.
The molecular formula of Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-) is C43H35BrNPSSn.
The molecular weight of Tetraphenylphosphonium bromotriphenyl(thiocyanato-N)stannate(1-) is 827.04333 g/mol.
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