TL;DR: 2-Methyl-4,6-bis[(octylthio)methyl]phenol (CAS 110553-27-0) is a chemical compound with molecular formula C25H44OS2 and molecular weight 424.28336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4,6-bis(octylsulfanylmethyl)phenol
Also Known As: Irganox 1520, 2-methyl-4,6-bis(octylsulfanylmethyl)phenol, 4,6-Bis(octylthiomethyl)-o-cresol, Antioxidant TH1520, 2-methyl-4,6-bis((octylthio)methyl)phenol
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C25H44OS2 |
| Molecular Weight | 424.28336 g/mol |
| XLogP | 9.7 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 424.28336 Da |
| Heavy Atoms | 28 |
| Complexity | 337.0 |
| SMILES | CCCCCCCCSCC1=CC(=C(C(=C1)C)O)CSCCCCCCCC |
| InChIKey | GAODDBNJCKQQDY-UHFFFAOYSA-N |
The XLogP value of 9.7 indicates that 2-Methyl-4,6-bis[(octylthio)methyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4,6-bis[(octylthio)methyl]phenol. Following Lipinski's Rule of Five, 2-Methyl-4,6-bis[(octylthio)methyl]phenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Methyl-4,6-bis[(octylthio)methyl]phenol is 110553-27-0.
The molecular formula of 2-Methyl-4,6-bis[(octylthio)methyl]phenol is C25H44OS2.
The molecular weight of 2-Methyl-4,6-bis[(octylthio)methyl]phenol is 424.28336 g/mol.
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