TL;DR: Decanoic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] ester (CAS 67874-51-5) is a chemical compound with molecular formula C40H78O6S3Sn and molecular weight 870.39825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[butyl-bis(2-decanoyloxyethylsulfanyl)stannyl]sulfanylethyl decanoate
Also Known As: Butyltintris(2-decanoyloxyethylmercaptide), Butyltintris[2-(decanoyloxy)ethylmercaptide], Butyltintris(2-(decanoyloxy)ethylmercaptide), (Butylstannylidyne)tris(thio-2,1-ethanediyl) tridecanoate, Decanoic acid, (butylstannylidyne)tris(thio-2,1-ethanediyl) ester
| Molecular Formula | C40H78O6S3Sn |
| Molecular Weight | 870.39825 g/mol |
| XLogP | 12.98 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 42 |
| Exact Mass | 870.39825 Da |
| Heavy Atoms | 50 |
| Complexity | 695.0 |
| SMILES | CCCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCCC)SCCOC(=O)CCCCCCCCC |
| InChIKey | COMMEQOKOLNNSJ-UHFFFAOYSA-K |
The XLogP value of 12.98 indicates that Decanoic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Decanoic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decanoic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Decanoic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] ester is 67874-51-5.
The molecular formula of Decanoic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] ester is C40H78O6S3Sn.
The molecular weight of Decanoic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] ester is 870.39825 g/mol.
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