(E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 496798-52-8) is a chemical compound with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3,4-dimethoxyphenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(4-methylthiophenyl)-1-azavinyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triaz ole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3,4-DIMETHOXYPHENYL)-4-({(E)-[4-(METHYLSULFANYL)PHENYL]METHYLIDENE}AMINO)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C18H18N4O2S2 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 4.22899 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.08713 |
| Heavy Atoms | 26 |
| Complexity | 977.6013 |
Chemical Identifiers
| CAS Number | 496798-52-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)SC)OC |
Product Overview
(E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 496798-52-8), with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.22899 indicates that (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-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 (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)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-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 496798-52-8.
What is the molecular formula of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C18H18N4O2S2.
What is the molecular weight of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 386.09 g/mol.
Where can I buy (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)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-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3,4-dimethoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.