![3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine structure](/static/products/5773/57736-68-2.webp)
3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
TL;DR: 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 57736-68-2) is a chemical compound with molecular formula C11H14N4OS and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: BAS 02788630, 3-[(4-ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-((4-ethoxybenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(4-Ethoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine, 3-[(4-ethoxybenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C11H14N4OS |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.08884 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 57736-68-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CSC2=NN=CN2N |
| InChIKey | ZNHDWUSCTPJWGQ-UHFFFAOYSA-N |
Product Overview
3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 57736-68-2), with molecular formula C11H14N4OS and molecular weight 250.09 g/mol. IUPAC: 3-[(4-ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Property Insights of 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine 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-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The CAS number of 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 57736-68-2.
What is the molecular formula of 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular formula of 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine is C11H14N4OS.
What is the molecular weight of 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular weight of 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 250.09 g/mol.
Where can I buy 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
You can request a quote for 3-[(4-Ethoxyphenyl)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-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.