3-Fluorothioanisole
TL;DR: 3-Fluorothioanisole (CAS 721-13-1) is a chemical compound with molecular formula C7H7FS and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-3-methylsulfanylbenzene
Also Known As: 3-Fluorothioanisole, 3-Fluoro thioanisole, (3-fluorophenyl)(methyl)sulfane, 1-fluoro-3-methylsulfanylbenzene, 1-fluoro-3-(methylsulfanyl)benzene
| Molecular Formula | C7H7FS |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 2.5476 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02525 |
| Heavy Atoms | 9 |
| Complexity | 197.86256 |
Chemical Identifiers
| CAS Number | 721-13-1 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)F |
Product Overview
3-Fluorothioanisole (CAS 721-13-1), with molecular formula C7H7FS and molecular weight 142.03 g/mol. IUPAC: 1-fluoro-3-methylsulfanylbenzene.
Chemical Property Profile of 3-Fluorothioanisole
Property Insights of 3-Fluorothioanisole
The XLogP value of 2.5476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorothioanisole. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Fluorothioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorothioanisole has 0 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 3-Fluorothioanisole?
The CAS number of 3-Fluorothioanisole is 721-13-1.
What is the molecular formula of 3-Fluorothioanisole?
The molecular formula of 3-Fluorothioanisole is C7H7FS.
What is the molecular weight of 3-Fluorothioanisole?
The molecular weight of 3-Fluorothioanisole is 142.03 g/mol.
Where can I buy 3-Fluorothioanisole?
You can request a quote for 3-Fluorothioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorothioanisole?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorothioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.