bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane
TL;DR: bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane (CAS 21776-82-9) is a chemical compound with molecular formula C19H18N6S2 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazole
Also Known As: bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane, F1595-0004, 3,3'-methanediylbis[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole], 3-(methylsulfanyl)-5-{[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-phenyl-4H-1,2,4-triazole, 3-methylsulfanyl-5-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazole
| Molecular Formula | C19H18N6S2 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.8826 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.10342 |
| Heavy Atoms | 27 |
| Complexity | 943.3067 |
Chemical Identifiers
| CAS Number | 21776-82-9 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2)CC3=NN=C(N3C4=CC=CC=C4)SC |
Product Overview
bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane (CAS 21776-82-9), with molecular formula C19H18N6S2 and molecular weight 394.10 g/mol. IUPAC: 3-methylsulfanyl-5-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane
Property Insights of bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane
The XLogP value of 3.8826 indicates that bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane. Following Lipinski's Rule of Five, bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane has 0 hydrogen bond donor(s) and 6 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 bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane?
The CAS number of bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane is 21776-82-9.
What is the molecular formula of bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane?
The molecular formula of bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane is C19H18N6S2.
What is the molecular weight of bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane?
The molecular weight of bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane is 394.10 g/mol.
Where can I buy bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane?
You can request a quote for bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane?
Yes, KEHONG BIO provides custom synthesis services for bis(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.