TL;DR: Ethanamine, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-) (CAS 133773-17-8) is a chemical compound with molecular formula C27H35BrN2SSn and molecular weight 618.07263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene;tetraethylazanium;tin(4+);bromide;thiocyanate
Also Known As: Ethanamine, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-), benzene; tetraethylazanium; tin(4+); bromide; thiocyanate, Stannate(1-), bromotriphenyl(thiocyanato-N)-, (TB-5-12)-, N,N,N-triethylethanaminium, Ethanaminium, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-)
| Molecular Formula | C27H35BrN2SSn |
| Molecular Weight | 618.07263 g/mol |
| XLogP | 2.98075 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 618.07263 Da |
| Heavy Atoms | 32 |
| Complexity | 170.0 |
| SMILES | CC[N+](CC)(CC)CC.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C(#N)[S-].[Br-].[Sn+4] |
| InChIKey | CSZWFHUHSMJYGX-UHFFFAOYSA-L |
The XLogP value of 2.98075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanamine, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-). With a topological polar surface area (TPSA) of 24.8 Ų, Ethanamine, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanamine, N,N,N-triethyl-, (TB-5-12)-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 Ethanamine, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-) is 133773-17-8.
The molecular formula of Ethanamine, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-) is C27H35BrN2SSn.
The molecular weight of Ethanamine, N,N,N-triethyl-, (TB-5-12)-bromotriphenyl(thiocyanato-N)stannate(1-) is 618.07263 g/mol.
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