5-(Methylthio)-3-phenyl-1,2,4-thiadiazole
TL;DR: 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole (CAS 33132-76-2) is a chemical compound with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-3-phenyl-1,2,4-thiadiazole
Also Known As: 5-(methylthio)-3-phenyl-1,2,4-thiadiazole, BETA-IONONE, 5-methylsulfanyl-3-phenyl-1,2,4-thiadiazole, 5-(methylsulfanyl)-3-phenyl-1,2,4-thiadiazole, 3-phenyl-5-methylthio-1,2,4-thiadiazole
| Molecular Formula | C9H8N2S2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0129 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 33132-76-2 |
|---|---|
| SMILES | CSC1=NC(=NS1)C2=CC=CC=C2 |
| InChIKey | BCKNSBBDDVYPER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Methylthio)-3-phenyl-1,2,4-thiadiazole (CAS 33132-76-2), with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol. IUPAC: 5-methylsulfanyl-3-phenyl-1,2,4-thiadiazole.
Chemical Property Profile of 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole
Property Insights of 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole. Following Lipinski's Rule of Five, 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole 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 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole?
The CAS number of 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole is 33132-76-2.
What is the molecular formula of 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole?
The molecular formula of 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole is C9H8N2S2.
What is the molecular weight of 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole?
The molecular weight of 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole is 208.01 g/mol.
Where can I buy 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole?
You can request a quote for 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.