4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol
TL;DR: 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol (CAS 21539-53-7) is a chemical compound with molecular formula C8H9N3OS and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazole-3-thiol, ML308 Analog, Methyl 3-hydroxyheptanoate, 4-ethyl-5-(2-furyl)-4H-1,2,4-triazole-3-thiol, TIMTEC-BB SBB007075
| Molecular Formula | C8H9N3OS |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.04663 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 21539-53-7 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC=CO2 |
| InChIKey | BYOPKDTXYORKAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol (CAS 21539-53-7), with molecular formula C8H9N3OS and molecular weight 195.05 g/mol. IUPAC: 4-ethyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol
Property Insights of 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol. Following Lipinski's Rule of Five, 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol has 1 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 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol?
The CAS number of 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol is 21539-53-7.
What is the molecular formula of 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol?
The molecular formula of 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol is C8H9N3OS.
What is the molecular weight of 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol?
The molecular weight of 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol is 195.05 g/mol.
Where can I buy 4-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol?
You can request a quote for 4-Ethyl-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-Ethyl-5-furan-2-yl-4H-(1,2,4)triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-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.