5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 108413-51-0) 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-(2-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(2-fluorophenyl)-1,3,4-oxadiazole-2-thiol, 5-(2-Fluoro-phenyl)-[1,3,4]oxadiazole-2-thiol, 5-(2-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione, 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione, 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-fluorophenyl)-
| Molecular Formula | C8H5FN2OS |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 2.53829 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.01067 |
| Heavy Atoms | 13 |
| Complexity | 476.7463 |
Chemical Identifiers
| CAS Number | 108413-51-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)O2)F |
Product Overview
5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 108413-51-0), with molecular formula C8H5FN2OS and molecular weight 196.01 g/mol. IUPAC: 5-(2-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 2.53829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 41.82 Ų, 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 3 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-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione is 108413-51-0.
What is the molecular formula of 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione is C8H5FN2OS.
What is the molecular weight of 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione is 196.01 g/mol.
Where can I buy 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.