3,4-Difluorobenzenethiol
TL;DR: 3,4-Difluorobenzenethiol (CAS 60811-24-7) is a chemical compound with molecular formula C6H4F2S and molecular weight 146.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-difluorobenzenethiol
Also Known As: 3,4-Difluorothiophenol, 3,4-difluorobenzenethiol, 3,4-Difluoro thiophenol, 3,4-difluorobenzene-1-thiol, Benzenethiol, 3,4-difluoro-
| Molecular Formula | C6H4F2S |
|---|---|
| Molecular Weight | 146.00 g/mol |
| LogP | 2.2535 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.00018 |
| Heavy Atoms | 9 |
| Complexity | 222.29788 |
Chemical Identifiers
| CAS Number | 60811-24-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1S)F)F |
Product Overview
3,4-Difluorobenzenethiol (CAS 60811-24-7), with molecular formula C6H4F2S and molecular weight 146.00 g/mol. IUPAC: 3,4-difluorobenzenethiol.
Chemical Property Profile of 3,4-Difluorobenzenethiol
Property Insights of 3,4-Difluorobenzenethiol
The XLogP value of 2.2535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Difluorobenzenethiol. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Difluorobenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Difluorobenzenethiol 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 3,4-Difluorobenzenethiol?
The CAS number of 3,4-Difluorobenzenethiol is 60811-24-7.
What is the molecular formula of 3,4-Difluorobenzenethiol?
The molecular formula of 3,4-Difluorobenzenethiol is C6H4F2S.
What is the molecular weight of 3,4-Difluorobenzenethiol?
The molecular weight of 3,4-Difluorobenzenethiol is 146.00 g/mol.
Where can I buy 3,4-Difluorobenzenethiol?
You can request a quote for 3,4-Difluorobenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Difluorobenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Difluorobenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.