(3-Fluorophenyl)methanethiol
TL;DR: (3-Fluorophenyl)methanethiol (CAS 40096-23-9) 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.
(3-fluorophenyl)methanethiol
Also Known As: (3-fluorophenyl)methanethiol, 3-Fluorothioanisole, 3-Fluorobenzyl mercaptan, 3-fluorobenzylthiol, m-Fluorobenzyl mercaptan
| Molecular Formula | C7H7FS |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 2.2555 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02525 |
| Heavy Atoms | 9 |
| Complexity | 197.86256 |
Chemical Identifiers
| CAS Number | 40096-23-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CS |
Product Overview
(3-Fluorophenyl)methanethiol (CAS 40096-23-9), with molecular formula C7H7FS and molecular weight 142.03 g/mol. IUPAC: (3-fluorophenyl)methanethiol.
Chemical Property Profile of (3-Fluorophenyl)methanethiol
Property Insights of (3-Fluorophenyl)methanethiol
The XLogP value of 2.2555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Fluorophenyl)methanethiol. With a topological polar surface area (TPSA) of 0.0 Ų, (3-Fluorophenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Fluorophenyl)methanethiol 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 (3-Fluorophenyl)methanethiol?
The CAS number of (3-Fluorophenyl)methanethiol is 40096-23-9.
What is the molecular formula of (3-Fluorophenyl)methanethiol?
The molecular formula of (3-Fluorophenyl)methanethiol is C7H7FS.
What is the molecular weight of (3-Fluorophenyl)methanethiol?
The molecular weight of (3-Fluorophenyl)methanethiol is 142.03 g/mol.
Where can I buy (3-Fluorophenyl)methanethiol?
You can request a quote for (3-Fluorophenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Fluorophenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (3-Fluorophenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.