TL;DR: Ethylene glycol, ((dibutylstannylene)dithio)diacetate (CAS 13468-00-3) is a chemical compound with molecular formula C14H26O4S2Sn and molecular weight 442.02945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-dibutyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione
Also Known As: EINECS 236-723-5, 8,8-Dibutyl-1,4-dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione, Ethylene glycol, ((dibutylstannylene)dithio)diacetate, 5,5-DIBUTYL-1,9-DIOXA-4,6-DITHIA-5-STANNACYCLOUNDECANE-2,8-DIONE, 1,4-Dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione, 8,8-dibutyl-
| Molecular Formula | C14H26O4S2Sn |
| Molecular Weight | 442.02945 g/mol |
| XLogP | 3.5952 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.02945 Da |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
| SMILES | CCCC[Sn]1(SCC(=O)OCCOC(=O)CS1)CCCC |
| InChIKey | OQPYRRNNMIEEPM-UHFFFAOYSA-L |
The XLogP value of 3.5952 indicates that Ethylene glycol, ((dibutylstannylene)dithio)diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylene glycol, ((dibutylstannylene)dithio)diacetate. Following Lipinski's Rule of Five, Ethylene glycol, ((dibutylstannylene)dithio)diacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethylene glycol, ((dibutylstannylene)dithio)diacetate is 13468-00-3.
The molecular formula of Ethylene glycol, ((dibutylstannylene)dithio)diacetate is C14H26O4S2Sn.
The molecular weight of Ethylene glycol, ((dibutylstannylene)dithio)diacetate is 442.02945 g/mol.
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