3-Fluorophenylthioethanol
TL;DR: 3-Fluorophenylthioethanol (CAS 685892-14-2) is a chemical compound with molecular formula C8H9FOS and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluorophenyl)sulfanylethanol
Also Known As: 3-Fluorophenylthioethanol, 2-((3-Fluorophenyl)thio)ethanol, 2-(3-fluorophenyl)sulfanylethanol, 2-[(3-Fluorophenyl)thio]ethanol, 2-((3-Fluorophenyl)thio)ethan-1-ol
| Molecular Formula | C8H9FOS |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 1.9101 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.03581 |
| Heavy Atoms | 11 |
| Complexity | 227.08698 |
Chemical Identifiers
| CAS Number | 685892-14-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCCO)F |
Product Overview
3-Fluorophenylthioethanol (CAS 685892-14-2), with molecular formula C8H9FOS and molecular weight 172.04 g/mol. IUPAC: 2-(3-fluorophenyl)sulfanylethanol.
Chemical Property Profile of 3-Fluorophenylthioethanol
Property Insights of 3-Fluorophenylthioethanol
The XLogP value of 1.9101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorophenylthioethanol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Fluorophenylthioethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorophenylthioethanol 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-Fluorophenylthioethanol?
The CAS number of 3-Fluorophenylthioethanol is 685892-14-2.
What is the molecular formula of 3-Fluorophenylthioethanol?
The molecular formula of 3-Fluorophenylthioethanol is C8H9FOS.
What is the molecular weight of 3-Fluorophenylthioethanol?
The molecular weight of 3-Fluorophenylthioethanol is 172.04 g/mol.
Where can I buy 3-Fluorophenylthioethanol?
You can request a quote for 3-Fluorophenylthioethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorophenylthioethanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorophenylthioethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.