5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol (CAS 31335-33-8) 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.
5-(4-methylphenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol, ChemDiv2_001233, PROSTAGLANDINF1ALPHA, 5-(p-Tolyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(p-tolyl)-1,3,4-oxadiazole-2-thiol
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 31335-33-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=S)O2 |
| InChIKey | RCICTPARDQGART-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol (CAS 31335-33-8), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 5-(4-methylphenyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-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 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol is 31335-33-8.
What is the molecular formula of 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol is C9H8N2OS.
What is the molecular weight of 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol is 192.04 g/mol.
Where can I buy 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(4-Methylphenyl)-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-Methylphenyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.