3-Phenyl-1,2,4-oxadiazole-5-thiol
TL;DR: 3-Phenyl-1,2,4-oxadiazole-5-thiol (CAS 23152-97-8) is a chemical compound with molecular formula C8H6N2OS and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2H-1,2,4-oxadiazole-5-thione
Also Known As: 3-phenyl-1,2,4-oxadiazole-5-thiol, 3-phenyl-2H-1,2,4-oxadiazole-5-thione, 1,2,4-oxadiazole-5-thiol, 3-phenyl-, 3-phenyl-1,2,4-oxadiazole-5(2H)-thione, 5-mercapto-3-phenyl-1,2,4-oxadiazole
| Molecular Formula | C8H6N2OS |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 2.39919 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02008 |
| Heavy Atoms | 12 |
| Complexity | 417.87784 |
Chemical Identifiers
| CAS Number | 23152-97-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=S)ON2 |
Product Overview
3-Phenyl-1,2,4-oxadiazole-5-thiol (CAS 23152-97-8), with molecular formula C8H6N2OS and molecular weight 178.02 g/mol. IUPAC: 3-phenyl-2H-1,2,4-oxadiazole-5-thione.
Chemical Property Profile of 3-Phenyl-1,2,4-oxadiazole-5-thiol
Property Insights of 3-Phenyl-1,2,4-oxadiazole-5-thiol
The XLogP value of 2.39919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-1,2,4-oxadiazole-5-thiol. With a topological polar surface area (TPSA) of 41.82 Ų, 3-Phenyl-1,2,4-oxadiazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1,2,4-oxadiazole-5-thiol 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 3-Phenyl-1,2,4-oxadiazole-5-thiol?
The CAS number of 3-Phenyl-1,2,4-oxadiazole-5-thiol is 23152-97-8.
What is the molecular formula of 3-Phenyl-1,2,4-oxadiazole-5-thiol?
The molecular formula of 3-Phenyl-1,2,4-oxadiazole-5-thiol is C8H6N2OS.
What is the molecular weight of 3-Phenyl-1,2,4-oxadiazole-5-thiol?
The molecular weight of 3-Phenyl-1,2,4-oxadiazole-5-thiol is 178.02 g/mol.
Where can I buy 3-Phenyl-1,2,4-oxadiazole-5-thiol?
You can request a quote for 3-Phenyl-1,2,4-oxadiazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-1,2,4-oxadiazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1,2,4-oxadiazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.