![2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine structure](/static/products/5869/586985-81-1.webp)
2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
TL;DR: 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 586985-81-1) is a chemical compound with molecular formula C16H16N4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, 2-(4-methyl-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 2-(4-methyl-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine, 2-[4-Methyl-5-(2-methyl-benzylsulfanyl)-4H-[1,2,4]triazol-3-yl]-pyridine, 2-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.47782 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 737.0427 |
Chemical Identifiers
| CAS Number | 586985-81-1 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=CC=N3 |
Product Overview
2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 586985-81-1), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 2-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Property Insights of 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
The XLogP value of 3.47782 indicates that 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine 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-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The CAS number of 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is 586985-81-1.
What is the molecular formula of 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular formula of 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is C16H16N4S.
What is the molecular weight of 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular weight of 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is 296.11 g/mol.
Where can I buy 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
You can request a quote for 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.