![3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/146/146173-50-4.png)
3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 146173-50-4) 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)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, (E)-5-(furan-2-yl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-5-(2-furyl)-1,2,4-triazole-3-thiol, 5-(2-FURYL)-4-((3-NITROBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(furan-2-yl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-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 | 894.54877 |
Chemical Identifiers
| CAS Number | 146173-50-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/N2C(=NNC2=S)C3=CC=CO3 |
Product Overview
3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 146173-50-4), with molecular formula C13H9N5O3S and molecular weight 315.04 g/mol. IUPAC: 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 2.99109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione. The TPSA of 102.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione 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 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 146173-50-4.
What is the molecular formula of 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is C13H9N5O3S.
What is the molecular weight of 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 315.04 g/mol.
Where can I buy 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.