1-Fluoro-4-(methylthio)benzene
TL;DR: 1-Fluoro-4-(methylthio)benzene (CAS 31164-13-3) 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-4-methylsulfanylbenzene
Also Known As: 4-Fluorothioanisole, 1-Fluoro-4-(methylthio)benzene, Isocyanatobenzene, 4-Fluoro thioanisole, 1-fluoro-4-methylsulfanylbenzene
| 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 | 180.61256 |
Chemical Identifiers
| CAS Number | 31164-13-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)F |
Product Overview
1-Fluoro-4-(methylthio)benzene (CAS 31164-13-3), with molecular formula C7H7FS and molecular weight 142.03 g/mol. IUPAC: 1-fluoro-4-methylsulfanylbenzene.
Chemical Property Profile of 1-Fluoro-4-(methylthio)benzene
Property Insights of 1-Fluoro-4-(methylthio)benzene
The XLogP value of 2.5476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-(methylthio)benzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Fluoro-4-(methylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-(methylthio)benzene 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 1-Fluoro-4-(methylthio)benzene?
The CAS number of 1-Fluoro-4-(methylthio)benzene is 31164-13-3.
What is the molecular formula of 1-Fluoro-4-(methylthio)benzene?
The molecular formula of 1-Fluoro-4-(methylthio)benzene is C7H7FS.
What is the molecular weight of 1-Fluoro-4-(methylthio)benzene?
The molecular weight of 1-Fluoro-4-(methylthio)benzene is 142.03 g/mol.
Where can I buy 1-Fluoro-4-(methylthio)benzene?
You can request a quote for 1-Fluoro-4-(methylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-4-(methylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-(methylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.