5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 29527-37-5) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: ASN 04080517, 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol, 3-(4-aminophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione, 4-Ethyl-5-(4-aminophenyl)-2H-1,2,4-triazole-3(4H)-thione
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 2.20979 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 508.9638 |
Chemical Identifiers
| CAS Number | 29527-37-5 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC=C(C=C2)N |
Product Overview
5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 29527-37-5), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 3-(4-aminophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.20979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.63 Ų, 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 3 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 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 29527-37-5.
What is the molecular formula of 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol is C10H12N4S.
What is the molecular weight of 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 220.08 g/mol.
Where can I buy 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.