4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-03-9) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-furan-2-ylmethylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((Furan-2-ylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((furan-2-ylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(2-furyl)-1-azavinyl)-5-(3-methoxyphenyl)-1,2,4-triazole-3-thiol, 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-furan-2-ylmethylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.09149 |
| Topological Polar Surface Area | 68.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 817.624 |
Chemical Identifiers
| CAS Number | 613249-03-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CO3 |
Product Overview
4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-03-9), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: 4-[(E)-furan-2-ylmethylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.09149 indicates that 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 613249-03-9.
What is the molecular formula of 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C14H12N4O2S.
What is the molecular weight of 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 300.07 g/mol.
Where can I buy 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-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-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Furylmethylene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.