3,5-Bis(trifluoromethyl)phenylthioethanol
TL;DR: 3,5-Bis(trifluoromethyl)phenylthioethanol (CAS 450409-97-9) is a chemical compound with molecular formula C10H8F6OS and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]sulfanylethanol
Also Known As: 3,5-Bis(trifluoromethyl)phenylthioethanol, 2-[3,5-bis(trifluoromethyl)phenyl]sulfanylethanol, J1.726.763I, 2-[3,5-Bis(trifluoromethyl)phenylthio]ethanol, 2-{[3,5-bis(trifluoromethyl)phenyl]sulfanyl}ethan-1-ol
| Molecular Formula | C10H8F6OS |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 3.8086 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.02002 |
| Heavy Atoms | 18 |
| Complexity | 379.55942 |
Chemical Identifiers
| CAS Number | 450409-97-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)SCCO)C(F)(F)F |
Product Overview
3,5-Bis(trifluoromethyl)phenylthioethanol (CAS 450409-97-9), with molecular formula C10H8F6OS and molecular weight 290.02 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanylethanol.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)phenylthioethanol
Property Insights of 3,5-Bis(trifluoromethyl)phenylthioethanol
The XLogP value of 3.8086 indicates that 3,5-Bis(trifluoromethyl)phenylthioethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 3,5-Bis(trifluoromethyl)phenylthioethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)phenylthioethanol 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 3,5-Bis(trifluoromethyl)phenylthioethanol?
The CAS number of 3,5-Bis(trifluoromethyl)phenylthioethanol is 450409-97-9.
What is the molecular formula of 3,5-Bis(trifluoromethyl)phenylthioethanol?
The molecular formula of 3,5-Bis(trifluoromethyl)phenylthioethanol is C10H8F6OS.
What is the molecular weight of 3,5-Bis(trifluoromethyl)phenylthioethanol?
The molecular weight of 3,5-Bis(trifluoromethyl)phenylthioethanol is 290.02 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)phenylthioethanol?
You can request a quote for 3,5-Bis(trifluoromethyl)phenylthioethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)phenylthioethanol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)phenylthioethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.