TL;DR: 13,16-Dithiaoctacosane (CAS 10050-04-1) is a chemical compound with molecular formula C26H54S2 and molecular weight 430.3667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-dodecylsulfanylethylsulfanyl)dodecane
Also Known As: 13,16-DITHIAOCTACOSANE, 1-(2-dodecylsulfanylethylsulfanyl)dodecane, 1,2-BIS(DODECYLTHIO)ETHANE, 1,2-DILAURYL DITHIOETHYLENE, Dodecane, 1,1'-(1,2-ethanediylbis(thio))bis-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H54S2 |
| Molecular Weight | 430.3667 g/mol |
| XLogP | 12.7 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 25 |
| Exact Mass | 430.3667 Da |
| Heavy Atoms | 28 |
| Complexity | 229.0 |
| SMILES | CCCCCCCCCCCCSCCSCCCCCCCCCCCC |
| InChIKey | WXXCXXVZIQCGNZ-UHFFFAOYSA-N |
The XLogP value of 12.7 indicates that 13,16-Dithiaoctacosane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 13,16-Dithiaoctacosane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13,16-Dithiaoctacosane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 13,16-Dithiaoctacosane is 10050-04-1.
The molecular formula of 13,16-Dithiaoctacosane is C26H54S2.
The molecular weight of 13,16-Dithiaoctacosane is 430.3667 g/mol.
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