4-Trifluoromethoxythioanisole
TL;DR: 4-Trifluoromethoxythioanisole (CAS 2546-45-4) is a chemical compound with molecular formula C8H7F3OS and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-4-(trifluoromethoxy)benzene
Also Known As: 4-trifluoromethoxythioanisole, (+)-Isopulegol, Methyl(4-(trifluoromethoxy)phenyl)sulfane, 4-(Trifluoromethoxy)phenyl methyl sulfide, 4-(Trifluoromethoxy)thioanisole
| Molecular Formula | C8H7F3OS |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 3.3071 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.01697 |
| Heavy Atoms | 13 |
| Complexity | 267.71277 |
Chemical Identifiers
| CAS Number | 2546-45-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)OC(F)(F)F |
Product Overview
4-Trifluoromethoxythioanisole (CAS 2546-45-4), with molecular formula C8H7F3OS and molecular weight 208.02 g/mol. IUPAC: 1-methylsulfanyl-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 4-Trifluoromethoxythioanisole
Property Insights of 4-Trifluoromethoxythioanisole
The XLogP value of 3.3071 indicates that 4-Trifluoromethoxythioanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 4-Trifluoromethoxythioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoromethoxythioanisole has 0 hydrogen bond donor(s) and 2 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 4-Trifluoromethoxythioanisole?
The CAS number of 4-Trifluoromethoxythioanisole is 2546-45-4.
What is the molecular formula of 4-Trifluoromethoxythioanisole?
The molecular formula of 4-Trifluoromethoxythioanisole is C8H7F3OS.
What is the molecular weight of 4-Trifluoromethoxythioanisole?
The molecular weight of 4-Trifluoromethoxythioanisole is 208.02 g/mol.
Where can I buy 4-Trifluoromethoxythioanisole?
You can request a quote for 4-Trifluoromethoxythioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoromethoxythioanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoromethoxythioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.