(E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 146173-49-1) is a chemical compound with molecular formula C13H9N5O3S and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(furan-2-yl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-5-(2-furyl)-1,2,4-triazole-3-thiol, 4-[(4-Nitrobenzylidene)amino]-5-(2-furanyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(furan-2-yl)-4-{[(4-nitrophenyl)methylidene]amino}-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H9N5O3S |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 2.99109 |
| Topological Polar Surface Area | 102.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0426 |
| Heavy Atoms | 22 |
| Complexity | 877.29877 |
Chemical Identifiers
| CAS Number | 146173-49-1 |
|---|---|
| SMILES | C1=COC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 146173-49-1), with molecular formula C13H9N5O3S and molecular weight 315.04 g/mol. IUPAC: 3-(furan-2-yl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.99109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol. The TPSA of 102.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 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 (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 146173-49-1.
What is the molecular formula of (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C13H9N5O3S.
What is the molecular weight of (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 315.04 g/mol.
Where can I buy (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-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 (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(furan-2-yl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.