![5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol structure](/static/products/103/1036408-61-3.png)
5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol (CAS 1036408-61-3) is a chemical compound with molecular formula C12H12N6S2 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol, (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methyl-2-thienyl)methyleneamino]-1H-1,2,4-triazole-5-thione, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methyl-2-thiophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C12H12N6S2 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 2.89133 |
| Topological Polar Surface Area | 74.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0565 |
| Heavy Atoms | 20 |
| Complexity | 818.9875 |
Chemical Identifiers
| CAS Number | 1036408-61-3 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/N2C(=NNC2=S)C3=NNC(=C3)C |
Product Overview
5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol (CAS 1036408-61-3), with molecular formula C12H12N6S2 and molecular weight 304.06 g/mol. IUPAC: 3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.89133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol. The TPSA of 74.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol has 2 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 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol is 1036408-61-3.
What is the molecular formula of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol is C12H12N6S2.
What is the molecular weight of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol is 304.06 g/mol.
Where can I buy 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-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 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.