间氟苯硫酚
TL;DR: 间氟苯硫酚 (CAS 2557-77-9) is a chemical compound with molecular formula C6H5FS and molecular weight 128.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间氟苯硫酚
3-fluorobenzenethiol
Also Known As: 3-Fluorothiophenol, 3-Fluorobenzenethiol, m-Fluorobenzenethiol, m-Fluorothiophenol, 3-Fluoro thiophenol
| Molecular Formula | C6H5FS |
|---|---|
| Molecular Weight | 128.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.0096 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 2557-77-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S)F |
| InChIKey | ZDEUGINAVLMAET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间氟苯硫酚 (CAS 2557-77-9), with molecular formula C6H5FS and molecular weight 128.01 g/mol. IUPAC: 3-fluorobenzenethiol.
Chemical Property Profile of 间氟苯硫酚
Property Insights of 间氟苯硫酚
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间氟苯硫酚. With a topological polar surface area (TPSA) of 1.0 Ų, 间氟苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间氟苯硫酚 has 1 hydrogen bond donor(s) and 2 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 间氟苯硫酚?
The CAS number of 间氟苯硫酚 is 2557-77-9.
What is the molecular formula of 间氟苯硫酚?
The molecular formula of 间氟苯硫酚 is C6H5FS.
What is the molecular weight of 间氟苯硫酚?
The molecular weight of 间氟苯硫酚 is 128.01 g/mol.
Where can I buy 间氟苯硫酚?
You can request a quote for 间氟苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间氟苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 间氟苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.