TL;DR: Acetic acid, [(trioctylstannyl)thio]-, 2-ethylhexyl ester (CAS 61912-55-8) is a chemical compound with molecular formula C34H70O2SSn and molecular weight 662.41187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl 2-trioctylstannylsulfanylacetate
Also Known As: Lucknomycin, 2-ethylhexyl[ thio]acetate, 2-ethylhexyl 2-trioctylstannylsulfanylacetate, 2-Ethylhexyl ((trioctylstannyl)thio)acetate, 2-ethylhexyl [(trioctylstannyl)thio]acetate
| Molecular Formula | C34H70O2SSn |
| Molecular Weight | 662.41187 g/mol |
| XLogP | 12.51 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 31 |
| Exact Mass | 662.41187 Da |
| Heavy Atoms | 38 |
| Complexity | 458.0 |
| SMILES | CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCC(CC)CCCC |
| InChIKey | LFQRPJAWBWYVRT-UHFFFAOYSA-M |
The XLogP value of 12.51 indicates that Acetic acid, [(trioctylstannyl)thio]-, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Acetic acid, [(trioctylstannyl)thio]-, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, [(trioctylstannyl)thio]-, 2-ethylhexyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetic acid, [(trioctylstannyl)thio]-, 2-ethylhexyl ester is 61912-55-8.
The molecular formula of Acetic acid, [(trioctylstannyl)thio]-, 2-ethylhexyl ester is C34H70O2SSn.
The molecular weight of Acetic acid, [(trioctylstannyl)thio]-, 2-ethylhexyl ester is 662.41187 g/mol.
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