3-Trifluoromethylphenylthioethanol
TL;DR: 3-Trifluoromethylphenylthioethanol (CAS 548739-94-2) is a chemical compound with molecular formula C9H9F3OS and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]sulfanylethanol
Also Known As: 3-Trifluoromethylphenylthioethanol, 2-[3-(trifluoromethyl)phenyl]sulfanylethanol, 2-(3-Trifluoromethyl-phenylsulfanyl)-ethanol, 2-[3-(trifluoromethyl)phenylthio]ethan-1-ol, 2-[3-(trifluoromethyl)phenylsulfanyl]-1-ethanol
| Molecular Formula | C9H9F3OS |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.7898 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03262 |
| Heavy Atoms | 14 |
| Complexity | 298.3537 |
Chemical Identifiers
| CAS Number | 548739-94-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCCO)C(F)(F)F |
Product Overview
3-Trifluoromethylphenylthioethanol (CAS 548739-94-2), with molecular formula C9H9F3OS and molecular weight 222.03 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]sulfanylethanol.
Chemical Property Profile of 3-Trifluoromethylphenylthioethanol
Property Insights of 3-Trifluoromethylphenylthioethanol
The XLogP value of 2.7898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Trifluoromethylphenylthioethanol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Trifluoromethylphenylthioethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Trifluoromethylphenylthioethanol has 1 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 3-Trifluoromethylphenylthioethanol?
The CAS number of 3-Trifluoromethylphenylthioethanol is 548739-94-2.
What is the molecular formula of 3-Trifluoromethylphenylthioethanol?
The molecular formula of 3-Trifluoromethylphenylthioethanol is C9H9F3OS.
What is the molecular weight of 3-Trifluoromethylphenylthioethanol?
The molecular weight of 3-Trifluoromethylphenylthioethanol is 222.03 g/mol.
Where can I buy 3-Trifluoromethylphenylthioethanol?
You can request a quote for 3-Trifluoromethylphenylthioethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Trifluoromethylphenylthioethanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Trifluoromethylphenylthioethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.