1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-
TL;DR: 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- (CAS 345631-77-8) is a chemical compound with molecular formula C7H5N3OS and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-yl-2H-1,2,4-oxadiazole-5-thione
Also Known As: 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-, 3-pyridin-4-yl-2H-1,2,4-oxadiazole-5-thione, 3-(4-pyridyl)-4H-1,2,4-oxadiazole-5-thione, 1,2,4-Oxadiazole-5(2H)-thione,3-(4-pyridinyl)-, 3-(Pyridin-4-yl)-1,2,4-oxadiazole-5(2H)-thione
| Molecular Formula | C7H5N3OS |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.79419 |
| Topological Polar Surface Area | 54.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.01534 |
| Heavy Atoms | 12 |
| Complexity | 419.47147 |
Chemical Identifiers
| CAS Number | 345631-77-8 |
|---|---|
| SMILES | C1=CN=CC=C1C2=NC(=S)ON2 |
Product Overview
1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- (CAS 345631-77-8), with molecular formula C7H5N3OS and molecular weight 179.02 g/mol. IUPAC: 3-pyridin-4-yl-2H-1,2,4-oxadiazole-5-thione.
Chemical Property Profile of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-
Property Insights of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-
The XLogP value of 1.79419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-. With a topological polar surface area (TPSA) of 54.71 Ų, 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- 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 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-?
The CAS number of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- is 345631-77-8.
What is the molecular formula of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-?
The molecular formula of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- is C7H5N3OS.
What is the molecular weight of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-?
The molecular weight of 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- is 179.02 g/mol.
Where can I buy 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-?
You can request a quote for 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Oxadiazole-5(2H)-thione, 3-(4-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.