![3-[(Difluoromethyl)thio]benzyl alcohol structure](/static/products/2619/261944-22-3.webp)
3-[(Difluoromethyl)thio]benzyl alcohol
TL;DR: 3-[(Difluoromethyl)thio]benzyl alcohol (CAS 261944-22-3) is a chemical compound with molecular formula C8H8F2OS and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(difluoromethylsulfanyl)phenyl]methanol
Also Known As: 3-[(Difluoromethyl)thio]benzyl alcohol, 3-(Difluoromethylthio)benzyl alcohol, [3-(difluoromethylsulfanyl)phenyl]methanol, {3-[(difluoromethyl)sulfanyl]phenyl}methanol, Benzenemethanol, 3-[(difluoromethyl)thio]-
| Molecular Formula | C8H8F2OS |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 2.4936 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.0264 |
| Heavy Atoms | 12 |
| Complexity | 252.5681 |
Chemical Identifiers
| CAS Number | 261944-22-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)F)CO |
Product Overview
3-[(Difluoromethyl)thio]benzyl alcohol (CAS 261944-22-3), with molecular formula C8H8F2OS and molecular weight 190.03 g/mol. IUPAC: [3-(difluoromethylsulfanyl)phenyl]methanol.
Chemical Property Profile of 3-[(Difluoromethyl)thio]benzyl alcohol
Property Insights of 3-[(Difluoromethyl)thio]benzyl alcohol
The XLogP value of 2.4936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Difluoromethyl)thio]benzyl alcohol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-[(Difluoromethyl)thio]benzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Difluoromethyl)thio]benzyl alcohol 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-[(Difluoromethyl)thio]benzyl alcohol?
The CAS number of 3-[(Difluoromethyl)thio]benzyl alcohol is 261944-22-3.
What is the molecular formula of 3-[(Difluoromethyl)thio]benzyl alcohol?
The molecular formula of 3-[(Difluoromethyl)thio]benzyl alcohol is C8H8F2OS.
What is the molecular weight of 3-[(Difluoromethyl)thio]benzyl alcohol?
The molecular weight of 3-[(Difluoromethyl)thio]benzyl alcohol is 190.03 g/mol.
Where can I buy 3-[(Difluoromethyl)thio]benzyl alcohol?
You can request a quote for 3-[(Difluoromethyl)thio]benzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Difluoromethyl)thio]benzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Difluoromethyl)thio]benzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.