![2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine structure](/static/products/676/676458-46-1.png)
2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine
TL;DR: 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine (CAS 676458-46-1) is a chemical compound with molecular formula C14H12ClN5S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyrazine, 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine, 2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)pyrazine, 2-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine
| Molecular Formula | C14H12ClN5S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0502 |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 676458-46-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=NC=CN=C3 |
| InChIKey | IYSWAECPRGIBLP-UHFFFAOYSA-N |
Product Overview
2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine (CAS 676458-46-1), with molecular formula C14H12ClN5S and molecular weight 317.05 g/mol. IUPAC: 2-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine
Property Insights of 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine. Following Lipinski's Rule of Five, 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine has 0 hydrogen bond donor(s) and 5 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-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine?
The CAS number of 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine is 676458-46-1.
What is the molecular formula of 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine?
The molecular formula of 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine is C14H12ClN5S.
What is the molecular weight of 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine?
The molecular weight of 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine is 317.05 g/mol.
Where can I buy 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine?
You can request a quote for 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.