![3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine structure](/static/products/5777/577761-28-5.webp)
3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine
TL;DR: 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine (CAS 577761-28-5) 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.
3-[(3-chlorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
Also Known As: 3-[(3-chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine, 3-((3-chlorobenzyl)thio)-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, 3-[(3-chlorobenzyl)sulfanyl]-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, 3-[(3-chlorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
| Molecular Formula | C14H12ClN5S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.9996 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0502 |
| Heavy Atoms | 21 |
| Complexity | 744.1301 |
Chemical Identifiers
| CAS Number | 577761-28-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Cl |
Product Overview
3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine (CAS 577761-28-5), with molecular formula C14H12ClN5S and molecular weight 317.05 g/mol. IUPAC: 3-[(3-chlorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine
Property Insights of 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine
The XLogP value of 2.9996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine has 1 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 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
The CAS number of 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine is 577761-28-5.
What is the molecular formula of 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
The molecular formula of 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine is C14H12ClN5S.
What is the molecular weight of 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
The molecular weight of 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine is 317.05 g/mol.
Where can I buy 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
You can request a quote for 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chlorophenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.