![4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione structure](/static/products/500/500147-20-6.png)
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione (CAS 500147-20-6) is a chemical compound with molecular formula C16H12ClN5O3S and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, (E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-[(2-chloro-5-nitrobenzylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H12ClN5O3S |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 3.96349 |
| Topological Polar Surface Area | 98.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.03494 |
| Heavy Atoms | 26 |
| Complexity | 1016.22473 |
Chemical Identifiers
| CAS Number | 500147-20-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione (CAS 500147-20-6), with molecular formula C16H12ClN5O3S and molecular weight 389.03 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.96349 indicates that 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-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)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is 500147-20-6.
What is the molecular formula of 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is C16H12ClN5O3S.
What is the molecular weight of 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is 389.03 g/mol.
Where can I buy 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-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)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.