5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 878431-19-7) is a chemical compound with molecular formula C6H8N6OS and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: ZERO/005848, BAS 12777202, 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-1H-1,2,4-triazole-5-thione, 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4{H}-1,2,4-triazole-3-thiol
| Molecular Formula | C6H8N6OS |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 0.59279 |
| Topological Polar Surface Area | 98.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.04803 |
| Heavy Atoms | 14 |
| Complexity | 496.38995 |
Chemical Identifiers
| CAS Number | 878431-19-7 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=NON=C2N |
Product Overview
5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 878431-19-7), with molecular formula C6H8N6OS and molecular weight 212.05 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.59279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol. The TPSA of 98.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol has 2 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 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 878431-19-7.
What is the molecular formula of 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is C6H8N6OS.
What is the molecular weight of 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 212.05 g/mol.
Where can I buy 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-amino-1,2,5-oxadiazol-3-yl)-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-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.