5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol (CAS 119221-62-4) is a chemical compound with molecular formula C7H3Cl2N3OS and molecular weight 246.9374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,6-dichloro-4-pyridinyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: Methyl 4-chlorocinnamate, 5-(2,6-dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol, 5-(2,6-dichloropyridin-4-yl)-1,3,4-oxadiazole-2-thiol, 5-(2,6-dichloropyridin-4-yl)-3H-1,3,4-oxadiazole-2-thione, 1,3,4-Oxadiazole-2(3H)-thione,5-(2,6-dichloro-4-pyridinyl)-
Technical Specifications
| Molecular Formula | C7H3Cl2N3OS |
| Molecular Weight | 246.9374 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.9374 Da |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
| SMILES | C1=C(C=C(N=C1Cl)Cl)C2=NNC(=S)O2 |
| InChIKey | DGCWSYQIRJNUBJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(2,6-Dichloro-4-pyridyl)-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
What is the CAS number of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol is 119221-62-4.
What is the molecular formula of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol is C7H3Cl2N3OS.
What is the molecular weight of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol is 246.9374 g/mol.
Where can I buy 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(2,6-Dichloro-4-pyridyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.