4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-
TL;DR: 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- (CAS 116850-52-3) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-methylsulfanyl-5-naphthalen-2-yl-1,2,4-triazole
Also Known As: 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-, 4-Methyl-3-(methylthio)-5-(2-naphthalenyl)-4H-1,2,4-triazole, 4-Methyl-3-(methylthio)-5-(naphthalen-2-yl)-4H-1,2,4-triazole, 4-methyl-3-methylsulfanyl-5-naphthalen-2-yl-1,2,4-triazole, 4-methyl-3-(methylsulfanyl)-5-(naphthalen-2-yl)-4H-1,2,4-triazole
| Molecular Formula | C14H13N3S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 3.3572 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.08302 |
| Heavy Atoms | 18 |
| Complexity | 703.0805 |
Chemical Identifiers
| CAS Number | 116850-52-3 |
|---|---|
| SMILES | CN1C(=NN=C1SC)C2=CC3=CC=CC=C3C=C2 |
Product Overview
4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- (CAS 116850-52-3), with molecular formula C14H13N3S and molecular weight 255.08 g/mol. IUPAC: 4-methyl-3-methylsulfanyl-5-naphthalen-2-yl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-
Property Insights of 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-
The XLogP value of 3.3572 indicates that 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- has 0 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 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-?
The CAS number of 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- is 116850-52-3.
What is the molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-?
The molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- is C14H13N3S.
What is the molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-?
The molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- is 255.08 g/mol.
Where can I buy 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-?
You can request a quote for 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.