5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol
TL;DR: 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol (CAS 108413-72-5) is a chemical compound with molecular formula C8H5FN2S2 and molecular weight 211.98782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(4-fluorophenyl)-1,3,4-thiadiazole-2-thiol, 5-(4-fluorophenyl)-3H-1,3,4-thiadiazole-2-thione, VU0549462-1, 2-mercapto-5-(4-fluorophenyl)-1,3,4-thiadiazole, 5-(4-Fluoro-phenyl)-[1,3,4]thiadiazole-2-thiol
Technical Specifications
| Molecular Formula | C8H5FN2S2 |
| Molecular Weight | 211.98782 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.98782 Da |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
| SMILES | C1=CC(=CC=C1C2=NNC(=S)S2)F |
| InChIKey | JHXBRYXSTQWYGA-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol
Property Insights of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)-1,3,4-thiadiazole-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
What is the CAS number of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol is 108413-72-5.
What is the molecular formula of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol is C8H5FN2S2.
What is the molecular weight of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol is 211.98782 g/mol.
Where can I buy 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(4-Fluorophenyl)-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.