(E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488813-89-4) is a chemical compound with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3,4-dimethoxyphenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(3,4-dimethoxyphenyl)-1,2,4-tria zole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-{[(E)-(3-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide, 5-(3,4-dimethoxyphenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 3.87701 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 939.7032 |
Chemical Identifiers
| CAS Number | 488813-89-4 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/N2C(=NNC2=S)C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488813-89-4), with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.87701 indicates that (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)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-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)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-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol is 488813-89-4.
What is the molecular formula of (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol is C16H16N4O2S2.
What is the molecular weight of (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol is 360.07 g/mol.
Where can I buy (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)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-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3,4-dimethoxyphenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.