(E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613249-01-7) is a chemical compound with molecular formula C16H13N5O3S and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3-methoxyphenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-5-(3-methoxyphenyl)-1,2,4-triazole-3-thi ol, 5-(3-methoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol, 5-(3-methoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H13N5O3S |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 3.40669 |
| Topological Polar Surface Area | 98.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0739 |
| Heavy Atoms | 25 |
| Complexity | 1008.7548 |
Chemical Identifiers
| CAS Number | 613249-01-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613249-01-7), with molecular formula C16H13N5O3S and molecular weight 355.07 g/mol. IUPAC: 3-(3-methoxyphenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.40669 indicates that (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol 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 (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(3-methoxyphenyl)-4-((3-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-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613249-01-7.
What is the molecular formula of (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C16H13N5O3S.
What is the molecular weight of (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 355.07 g/mol.
Where can I buy (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3-methoxyphenyl)-4-((3-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-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-methoxyphenyl)-4-((3-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.