2-(Methylthio)-5-phenyl-1,3,4-oxadiazole
TL;DR: 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole (CAS 23288-88-2) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole
Also Known As: 2-(methylthio)-5-phenyl-1,3,4-oxadiazole, 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole, 1,3,4-Oxadiazole, 2-(methylthio)-5-phenyl-, 2-(METHYLSULFANYL)-5-PHENYL-1,3,4-OXADIAZOLE, J1.592.957J
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 23288-88-2 |
|---|---|
| SMILES | CSC1=NN=C(O1)C2=CC=CC=C2 |
| InChIKey | JVTKECPNVZDYJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylthio)-5-phenyl-1,3,4-oxadiazole (CAS 23288-88-2), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole.
Chemical Property Profile of 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole
Property Insights of 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole has 0 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 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole?
The CAS number of 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole is 23288-88-2.
What is the molecular formula of 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole?
The molecular formula of 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole is C9H8N2OS.
What is the molecular weight of 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole?
The molecular weight of 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole is 192.04 g/mol.
Where can I buy 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole?
You can request a quote for 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-5-phenyl-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.