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 196.01067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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)-
Technical Specifications
| Molecular Formula | C8H5FN2OS |
| Molecular Weight | 196.01067 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.01067 Da |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)O2)F |
| InChIKey | SHXFULJIZLNGII-UHFFFAOYSA-N |
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 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione 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
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 196.01067 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-Fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, CoreyChem 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.