1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate
TL;DR: 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate (CAS 57813-62-4) is a chemical compound with molecular formula C31H60O6S3Sn and molecular weight 744.2574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[methyl-bis(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate
Also Known As: tris trioctanoate, Octanoic acid, (methylstannylidyne)tris(thio-2,1-ethanediyl) ester, (Methylstannylidyne)tris(thioethane-2,1-diyl) trioctanoate, Octanoic acid, 1,1',1''-((methylstannylidyne)tris(thio-2,1-ethanediyl)) ester, 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate
Technical Specifications
| Molecular Formula | C31H60O6S3Sn |
| Molecular Weight | 744.2574 g/mol |
| XLogP | 9.47 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 33 |
| Exact Mass | 744.2574 Da |
| Heavy Atoms | 41 |
| Complexity | 570.0 |
| SMILES | CCCCCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCCCC)SCCOC(=O)CCCCCCC |
| InChIKey | LURDONBOXRFJRH-UHFFFAOYSA-K |
Chemical Property Profile of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate
Property Insights of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate
The XLogP value of 9.47 indicates that 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate?
The CAS number of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate is 57813-62-4.
What is the molecular formula of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate?
The molecular formula of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate is C31H60O6S3Sn.
What is the molecular weight of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate?
The molecular weight of 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate is 744.2574 g/mol.
Where can I buy 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate?
You can request a quote for 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate?
Yes, CoreyChem provides custom synthesis services for 1,1',1''-((Methylstannylidyne)tris(thio-2,1-ethanediyl)) trioctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.