![3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine structure](/static/products/577/577787-06-5.png)
3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine
TL;DR: 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine (CAS 577787-06-5) is a chemical compound with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
Also Known As: 3-((4-nitrobenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine, 3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine, 3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine, 3-[(4-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine
| Molecular Formula | C15H13N5O2S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 2.8594 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.079 |
| Heavy Atoms | 23 |
| Complexity | 817.64343 |
Chemical Identifiers
| CAS Number | 577787-06-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine (CAS 577787-06-5), with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine
Property Insights of 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine
The XLogP value of 2.8594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine has 1 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 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine?
The CAS number of 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine is 577787-06-5.
What is the molecular formula of 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine?
The molecular formula of 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine is C15H13N5O2S.
What is the molecular weight of 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine?
The molecular weight of 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine is 327.08 g/mol.
Where can I buy 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine?
You can request a quote for 3-[(4-Nitrophenyl)methylthio]-5-phenyl-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-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.