![4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione structure](/static/products/488/488744-11-2.png)
4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 488744-11-2) is a chemical compound with molecular formula C14H9ClN6O2S and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, (E)-4-((4-chloro-3-nitrobenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-[(4-chloro-3-nitrobenzylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H9ClN6O2S |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 3.44649 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.01962 |
| Heavy Atoms | 24 |
| Complexity | 982.4298 |
Chemical Identifiers
| CAS Number | 488744-11-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=N/N2C(=NNC2=S)C3=CC=NC=C3)[N+](=O)[O-])Cl |
Product Overview
4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 488744-11-2), with molecular formula C14H9ClN6O2S and molecular weight 360.02 g/mol. IUPAC: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.44649 indicates that 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-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 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 488744-11-2.
What is the molecular formula of 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is C14H9ClN6O2S.
What is the molecular weight of 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 360.02 g/mol.
Where can I buy 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-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 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.