![3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine structure](/static/products/5779/577999-86-1.webp)
3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
TL;DR: 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 577999-86-1) is a chemical compound with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-(2-furyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine, 3-(furan-2-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(furan-2-yl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C13H11N5O3S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 2.4524 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.05826 |
| Heavy Atoms | 22 |
| Complexity | 782.6258 |
Chemical Identifiers
| CAS Number | 577999-86-1 |
|---|---|
| SMILES | C1=COC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 577999-86-1), with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol. IUPAC: 3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Property Insights of 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
The XLogP value of 2.4524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 7 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-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The CAS number of 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 577999-86-1.
What is the molecular formula of 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular formula of 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is C13H11N5O3S.
What is the molecular weight of 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular weight of 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 317.06 g/mol.
Where can I buy 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
You can request a quote for 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.