2-Trifluoromethylthioanisole
TL;DR: 2-Trifluoromethylthioanisole (CAS 322-58-7) is a chemical compound with molecular formula C8H7F3S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-2-(trifluoromethyl)benzene
Also Known As: 2-Trifluoromethylthioanisole, Methyl(2-(trifluoromethyl)phenyl)sulfane, 2-Trifluoromethylbenzyl mercaptan, 1-methylsulfanyl-2-(trifluoromethyl)benzene, 1-methylsulfanyl-2-trifluoromethyl-benzene
| Molecular Formula | C8H7F3S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 3.4273 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.02205 |
| Heavy Atoms | 12 |
| Complexity | 267.25064 |
Chemical Identifiers
| CAS Number | 322-58-7 |
|---|---|
| SMILES | CSC1=CC=CC=C1C(F)(F)F |
Product Overview
2-Trifluoromethylthioanisole (CAS 322-58-7), with molecular formula C8H7F3S and molecular weight 192.02 g/mol. IUPAC: 1-methylsulfanyl-2-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Trifluoromethylthioanisole
Property Insights of 2-Trifluoromethylthioanisole
The XLogP value of 3.4273 indicates that 2-Trifluoromethylthioanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Trifluoromethylthioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoromethylthioanisole has 0 hydrogen bond donor(s) and 1 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-Trifluoromethylthioanisole?
The CAS number of 2-Trifluoromethylthioanisole is 322-58-7.
What is the molecular formula of 2-Trifluoromethylthioanisole?
The molecular formula of 2-Trifluoromethylthioanisole is C8H7F3S.
What is the molecular weight of 2-Trifluoromethylthioanisole?
The molecular weight of 2-Trifluoromethylthioanisole is 192.02 g/mol.
Where can I buy 2-Trifluoromethylthioanisole?
You can request a quote for 2-Trifluoromethylthioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trifluoromethylthioanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoromethylthioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.