4-(3-Fluorophenyl)thiophenol
TL;DR: 4-(3-Fluorophenyl)thiophenol (CAS 845822-98-2) is a chemical compound with molecular formula C12H9FS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-fluorophenyl)benzenethiol
Also Known As: 4-(3-Fluorophenyl)thiophenol, 3'-Fluoro-4-biphenylthiol, 3'-Fluoro-[1,1'-biphenyl]-4-thiol, 4-(3-fluorophenyl)benzenethiol, 3'-Fluorobiphenyl-4-thiol
| Molecular Formula | C12H9FS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 3.7814 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0409 |
| Heavy Atoms | 14 |
| Complexity | 434.32965 |
Chemical Identifiers
| CAS Number | 845822-98-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=CC=C(C=C2)S |
Product Overview
4-(3-Fluorophenyl)thiophenol (CAS 845822-98-2), with molecular formula C12H9FS and molecular weight 204.04 g/mol. IUPAC: 4-(3-fluorophenyl)benzenethiol.
Chemical Property Profile of 4-(3-Fluorophenyl)thiophenol
Property Insights of 4-(3-Fluorophenyl)thiophenol
The XLogP value of 3.7814 indicates that 4-(3-Fluorophenyl)thiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(3-Fluorophenyl)thiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Fluorophenyl)thiophenol has 1 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 4-(3-Fluorophenyl)thiophenol?
The CAS number of 4-(3-Fluorophenyl)thiophenol is 845822-98-2.
What is the molecular formula of 4-(3-Fluorophenyl)thiophenol?
The molecular formula of 4-(3-Fluorophenyl)thiophenol is C12H9FS.
What is the molecular weight of 4-(3-Fluorophenyl)thiophenol?
The molecular weight of 4-(3-Fluorophenyl)thiophenol is 204.04 g/mol.
Where can I buy 4-(3-Fluorophenyl)thiophenol?
You can request a quote for 4-(3-Fluorophenyl)thiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Fluorophenyl)thiophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Fluorophenyl)thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.