4-Fluoro-3-methylbenzene-1-thiol
TL;DR: 4-Fluoro-3-methylbenzene-1-thiol (CAS 845791-22-2) 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.
4-fluoro-3-methylbenzenethiol
Also Known As: 4-Fluoro-3-methylthiophenol, 4-fluoro-3-methylbenzenethiol, 4-fluoro-3-methylbenzene-1-thiol, 4-fluoro-3-methyl-benzenethiol, Benzenethiol, 4-fluoro-3-methyl-
| Molecular Formula | C7H7FS |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 2.42282 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02525 |
| Heavy Atoms | 9 |
| Complexity | 220.15617 |
Chemical Identifiers
| CAS Number | 845791-22-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S)F |
Product Overview
4-Fluoro-3-methylbenzene-1-thiol (CAS 845791-22-2), with molecular formula C7H7FS and molecular weight 142.03 g/mol. IUPAC: 4-fluoro-3-methylbenzenethiol.
Chemical Property Profile of 4-Fluoro-3-methylbenzene-1-thiol
Property Insights of 4-Fluoro-3-methylbenzene-1-thiol
The XLogP value of 2.42282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-methylbenzene-1-thiol. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Fluoro-3-methylbenzene-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-3-methylbenzene-1-thiol 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-Fluoro-3-methylbenzene-1-thiol?
The CAS number of 4-Fluoro-3-methylbenzene-1-thiol is 845791-22-2.
What is the molecular formula of 4-Fluoro-3-methylbenzene-1-thiol?
The molecular formula of 4-Fluoro-3-methylbenzene-1-thiol is C7H7FS.
What is the molecular weight of 4-Fluoro-3-methylbenzene-1-thiol?
The molecular weight of 4-Fluoro-3-methylbenzene-1-thiol is 142.03 g/mol.
Where can I buy 4-Fluoro-3-methylbenzene-1-thiol?
You can request a quote for 4-Fluoro-3-methylbenzene-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3-methylbenzene-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-methylbenzene-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.