TL;DR: 2,2'-Thiobis[4-dodecylphenol] (CAS 1262-31-3) is a chemical compound with molecular formula C36H58O2S and molecular weight 554.4158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-dodecyl-2-(5-dodecyl-2-hydroxyphenyl)sulfanylphenol
Also Known As: 2,2'-Thiobis(4-dodecylphenol), 2,2'-Thiobis[4-dodecylphenol], 2,2/'-thiobis[4-dodecylphenol], Phenol,2,2'-thiobis[4-dodecyl-, 2,2/'-Thiobis(4-dodecylphenol)
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C36H58O2S |
| Molecular Weight | 554.4158 g/mol |
| XLogP | 15.7 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 24 |
| Exact Mass | 554.4158 Da |
| Heavy Atoms | 39 |
| Complexity | 494.0 |
| SMILES | CCCCCCCCCCCCC1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)CCCCCCCCCCCC)O |
| InChIKey | QDRFHDDAGLWIAJ-UHFFFAOYSA-N |
The XLogP value of 15.7 indicates that 2,2'-Thiobis[4-dodecylphenol] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Thiobis[4-dodecylphenol]. Following Lipinski's Rule of Five, 2,2'-Thiobis[4-dodecylphenol] has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2'-Thiobis[4-dodecylphenol] is 1262-31-3.
The molecular formula of 2,2'-Thiobis[4-dodecylphenol] is C36H58O2S.
The molecular weight of 2,2'-Thiobis[4-dodecylphenol] is 554.4158 g/mol.
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