5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 17697-93-7) is a chemical compound with molecular formula C4H8N4S and molecular weight 144.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-Amino-4-ethyl-4H-[1,2,4]triazole-3-thiol, 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione, 5-amino-4-ethyl-2,4-dihydro-, 3-Amino-4-ethyl-5-mercapto-1,2,4-triazole
| Molecular Formula | C4H8N4S |
|---|---|
| Molecular Weight | 144.05 g/mol |
| LogP | 0.54279 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.04697 |
| Heavy Atoms | 9 |
| Complexity | 247.31548 |
Chemical Identifiers
| CAS Number | 17697-93-7 |
|---|---|
| SMILES | CCN1C(=NNC1=S)N |
Product Overview
5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 17697-93-7), with molecular formula C4H8N4S and molecular weight 144.05 g/mol. IUPAC: 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.54279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.63 Ų, 5-amino-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-amino-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-amino-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol is 17697-93-7.
What is the molecular formula of 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol is C4H8N4S.
What is the molecular weight of 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol is 144.05 g/mol.
Where can I buy 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-amino-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-amino-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.