5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol (CAS 23766-26-9) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol, ChemDiv2_001189, 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione, 1,3,4-Oxadiazole-2(3H)-thione,5-(4-methoxyphenyl)-, BAS 15447046
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 23766-26-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=S)O2 |
| InChIKey | UGHZJAXROLHKEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol (CAS 23766-26-9), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)-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
Frequently Asked Questions
What is the CAS number of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol is 23766-26-9.
What is the molecular formula of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol is C9H8N2O2S.
What is the molecular weight of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol is 208.03 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.