5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol (CAS 203268-64-8) is a chemical compound with molecular formula C8H5FN2OS and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol, 5-(4-Fluoro-phenyl)-[1,3,4]oxadiazole-2-thiol, 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2(3h)-thione, 5-(4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione, 1,3,4-Oxadiazole-2-thiol, 5-(4-fluorophenyl)-
| Molecular Formula | C8H5FN2OS |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.01067 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 203268-64-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)O2)F |
| InChIKey | XKMWJXQWLNRDRC-UHFFFAOYSA-N |
Product Overview
5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol (CAS 203268-64-8), with molecular formula C8H5FN2OS and molecular weight 196.01 g/mol. IUPAC: 5-(4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 4 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 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol is 203268-64-8.
What is the molecular formula of 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol is C8H5FN2OS.
What is the molecular weight of 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol is 196.01 g/mol.
Where can I buy 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.