![4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL structure](/static/products/478/478255-91-3.png)
4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
TL;DR: 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 478255-91-3) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]-5-(3-methylphenyl)-1,2,4-triazole- 3-thiol, 4-(((E)-(2,4-Dimethoxyphenyl)methylidene)amino)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.81551 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 975.2026 |
Chemical Identifiers
| CAS Number | 478255-91-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)OC)OC |
Product Overview
4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 478255-91-3), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Property Insights of 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
The XLogP value of 3.81551 indicates that 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL. Following Lipinski's Rule of Five, 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL has 1 hydrogen bond donor(s) and 5 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)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL?
The CAS number of 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL is 478255-91-3.
What is the molecular formula of 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular formula of 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL is C18H18N4O2S.
What is the molecular weight of 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular weight of 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL is 354.12 g/mol.
Where can I buy 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL?
You can request a quote for 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-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 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.