4-(2-Methyl-1,3-dithian-2-yl)phenol
TL;DR: 4-(2-Methyl-1,3-dithian-2-yl)phenol (CAS 155853-28-4) is a chemical compound with molecular formula C11H14OS2 and molecular weight 226.04861 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methyl-1,3-dithian-2-yl)phenol
Also Known As: 4-(2-Methyl-1,3-dithian-2-yl)phenol, 2-(4-hydroxy-2-phenyl)-1,3-dithiane, 2-Methyl-2-(4-hydroxyphenyl)-1,3-dithiane, 4-(2-Methyl-1,3-dithiane-2-yl)phenol, 4-(2-Methyl-1,3-dithian-2-yl)phenol #
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14OS2 |
| Molecular Weight | 226.04861 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.04861 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| SMILES | CC1(SCCCS1)C2=CC=C(C=C2)O |
| InChIKey | HHCTXWWPKXCRMG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Methyl-1,3-dithian-2-yl)phenol
Property Insights of 4-(2-Methyl-1,3-dithian-2-yl)phenol
The XLogP value of 3.1 indicates that 4-(2-Methyl-1,3-dithian-2-yl)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 4-(2-Methyl-1,3-dithian-2-yl)phenol. Following Lipinski's Rule of Five, 4-(2-Methyl-1,3-dithian-2-yl)phenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2-Methyl-1,3-dithian-2-yl)phenol?
The CAS number of 4-(2-Methyl-1,3-dithian-2-yl)phenol is 155853-28-4.
What is the molecular formula of 4-(2-Methyl-1,3-dithian-2-yl)phenol?
The molecular formula of 4-(2-Methyl-1,3-dithian-2-yl)phenol is C11H14OS2.
What is the molecular weight of 4-(2-Methyl-1,3-dithian-2-yl)phenol?
The molecular weight of 4-(2-Methyl-1,3-dithian-2-yl)phenol is 226.04861 g/mol.
Where can I buy 4-(2-Methyl-1,3-dithian-2-yl)phenol?
You can request a quote for 4-(2-Methyl-1,3-dithian-2-yl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Methyl-1,3-dithian-2-yl)phenol?
Yes, CoreyChem provides custom synthesis services for 4-(2-Methyl-1,3-dithian-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.