1-Methoxysulfanyl-3-(trifluoromethyl)benzene
TL;DR: 1-Methoxysulfanyl-3-(trifluoromethyl)benzene (CAS 71902-31-3) 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-methoxysulfanyl-3-(trifluoromethyl)benzene
Also Known As: 1-methoxysulfanyl-3-(trifluoromethyl)benzene, 1-(Methoxysulfanyl)-3-(trifluoromethyl)benzene, InChI=1/C8H7F3OS/c1-12-13-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H
| Molecular Formula | C8H7F3OS |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.01697 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 71902-31-3 |
|---|---|
| SMILES | COSC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | AWABQEQELDBARF-UHFFFAOYSA-N |
Product Overview
1-Methoxysulfanyl-3-(trifluoromethyl)benzene (CAS 71902-31-3), with molecular formula C8H7F3OS and molecular weight 208.02 g/mol. IUPAC: 1-methoxysulfanyl-3-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Methoxysulfanyl-3-(trifluoromethyl)benzene
Property Insights of 1-Methoxysulfanyl-3-(trifluoromethyl)benzene
The XLogP value of 3.5 indicates that 1-Methoxysulfanyl-3-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 1-Methoxysulfanyl-3-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxysulfanyl-3-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 5 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 1-Methoxysulfanyl-3-(trifluoromethyl)benzene?
The CAS number of 1-Methoxysulfanyl-3-(trifluoromethyl)benzene is 71902-31-3.
What is the molecular formula of 1-Methoxysulfanyl-3-(trifluoromethyl)benzene?
The molecular formula of 1-Methoxysulfanyl-3-(trifluoromethyl)benzene is C8H7F3OS.
What is the molecular weight of 1-Methoxysulfanyl-3-(trifluoromethyl)benzene?
The molecular weight of 1-Methoxysulfanyl-3-(trifluoromethyl)benzene is 208.02 g/mol.
Where can I buy 1-Methoxysulfanyl-3-(trifluoromethyl)benzene?
You can request a quote for 1-Methoxysulfanyl-3-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxysulfanyl-3-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxysulfanyl-3-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.