2-(1,3-Dithian-2-yl)-4-methylphenol
TL;DR: 2-(1,3-Dithian-2-yl)-4-methylphenol (CAS 54810-44-5) is a chemical compound with molecular formula C11H14OS2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithian-2-yl)-4-methylphenol
Also Known As: 2-(1,3-dithian-2-yl)-4-methylphenol, 2-[1,3]dithian-2-yl-4-methyl-phenol
| Molecular Formula | C11H14OS2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.04861 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 54810-44-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C2SCCCS2 |
| InChIKey | XOXXZKJYIKHUPW-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dithian-2-yl)-4-methylphenol (CAS 54810-44-5), with molecular formula C11H14OS2 and molecular weight 226.05 g/mol. IUPAC: 2-(1,3-dithian-2-yl)-4-methylphenol.
Chemical Property Profile of 2-(1,3-Dithian-2-yl)-4-methylphenol
Property Insights of 2-(1,3-Dithian-2-yl)-4-methylphenol
The XLogP value of 3.3 indicates that 2-(1,3-Dithian-2-yl)-4-methylphenol 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-(1,3-Dithian-2-yl)-4-methylphenol. Following Lipinski's Rule of Five, 2-(1,3-Dithian-2-yl)-4-methylphenol 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
Frequently Asked Questions
What is the CAS number of 2-(1,3-Dithian-2-yl)-4-methylphenol?
The CAS number of 2-(1,3-Dithian-2-yl)-4-methylphenol is 54810-44-5.
What is the molecular formula of 2-(1,3-Dithian-2-yl)-4-methylphenol?
The molecular formula of 2-(1,3-Dithian-2-yl)-4-methylphenol is C11H14OS2.
What is the molecular weight of 2-(1,3-Dithian-2-yl)-4-methylphenol?
The molecular weight of 2-(1,3-Dithian-2-yl)-4-methylphenol is 226.05 g/mol.
Where can I buy 2-(1,3-Dithian-2-yl)-4-methylphenol?
You can request a quote for 2-(1,3-Dithian-2-yl)-4-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithian-2-yl)-4-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithian-2-yl)-4-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.