2,4-Difluorobenzene-1-thiol
TL;DR: 2,4-Difluorobenzene-1-thiol (CAS 1996-44-7) 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.
2,4-difluorobenzenethiol
Also Known As: 2,4-Difluorothiophenol, 2,4-Difluorobenzenethiol, Benzenethiol, 2,4-difluoro-, 2,4-difluorobenzene-1-thiol, 2,4-Difluoro thiophenol
| 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 | 1996-44-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)S |
Product Overview
2,4-Difluorobenzene-1-thiol (CAS 1996-44-7), with molecular formula C6H4F2S and molecular weight 146.00 g/mol. IUPAC: 2,4-difluorobenzenethiol.
Chemical Property Profile of 2,4-Difluorobenzene-1-thiol
Property Insights of 2,4-Difluorobenzene-1-thiol
The XLogP value of 2.2535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Difluorobenzene-1-thiol. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Difluorobenzene-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Difluorobenzene-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 2,4-Difluorobenzene-1-thiol?
The CAS number of 2,4-Difluorobenzene-1-thiol is 1996-44-7.
What is the molecular formula of 2,4-Difluorobenzene-1-thiol?
The molecular formula of 2,4-Difluorobenzene-1-thiol is C6H4F2S.
What is the molecular weight of 2,4-Difluorobenzene-1-thiol?
The molecular weight of 2,4-Difluorobenzene-1-thiol is 146.00 g/mol.
Where can I buy 2,4-Difluorobenzene-1-thiol?
You can request a quote for 2,4-Difluorobenzene-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Difluorobenzene-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Difluorobenzene-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.