![3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine structure](/static/products/4592/459209-47-3.webp)
3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
TL;DR: 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine (CAS 459209-47-3) is a chemical compound with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-ethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine, 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-Ethyl-5-(4-nitro-benzylsulfanyl)-[1,2,4]triazol-4-ylamine, C11H13N5O2S
| Molecular Formula | C11H13N5O2S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 1.7548 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.079 |
| Heavy Atoms | 19 |
| Complexity | 581.27155 |
Chemical Identifiers
| CAS Number | 459209-47-3 |
|---|---|
| SMILES | CCC1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine (CAS 459209-47-3), with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol. IUPAC: 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Property Insights of 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 1.7548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine 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-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The CAS number of 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine is 459209-47-3.
What is the molecular formula of 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine is C11H13N5O2S.
What is the molecular weight of 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine is 279.08 g/mol.
Where can I buy 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-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-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.