4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 80809-38-7) is a chemical compound with molecular formula C6H6N4OS and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-amino-5-(2-furyl)-4H-1,2,4-triazole-3-thiol, 4-amino-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, 4-Amino-5-furan-2-yl-4H-[1,2,4]triazole-3-thiol, J2.234.116B
| Molecular Formula | C6H6N4OS |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.02623 |
| Heavy Atoms | 12 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 80809-38-7 |
|---|---|
| SMILES | C1=COC(=C1)C2=NNC(=S)N2N |
| InChIKey | XLYBWYJEEHPZMQ-UHFFFAOYSA-N |
Product Overview
4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 80809-38-7), with molecular formula C6H6N4OS and molecular weight 182.03 g/mol. IUPAC: 4-amino-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 4 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 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is 80809-38-7.
What is the molecular formula of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is C6H6N4OS.
What is the molecular weight of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is 182.03 g/mol.
Where can I buy 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(furan-2-yl)-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 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.