![4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol structure](/static/products/110/1103503-08-7.png)
4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol
TL;DR: 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol (CAS 1103503-08-7) is a chemical compound with molecular formula C16H11BrN6S2 and molecular weight 429.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol, (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(5-bromo(2-thienyl))-1-azavinyl]-5-(3-phenylpyrazol-5-yl)-1,2,4-tria zole-3-thiol, 4-[(5-bromanylthiophen-2-yl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-[(5-bromo-2-thienyl)methyleneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H11BrN6S2 |
|---|---|
| Molecular Weight | 429.97 g/mol |
| LogP | 4.70399 |
| Topological Polar Surface Area | 74.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.967 |
| Heavy Atoms | 25 |
| Complexity | 1089.2428 |
Chemical Identifiers
| CAS Number | 1103503-08-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C4=CC=C(S4)Br |
Product Overview
4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol (CAS 1103503-08-7), with molecular formula C16H11BrN6S2 and molecular weight 429.97 g/mol. IUPAC: 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol
Property Insights of 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol
The XLogP value of 4.70399 indicates that 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol. Following Lipinski's Rule of Five, 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-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 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol?
The CAS number of 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol is 1103503-08-7.
What is the molecular formula of 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol?
The molecular formula of 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol is C16H11BrN6S2.
What is the molecular weight of 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol?
The molecular weight of 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol is 429.97 g/mol.
Where can I buy 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol?
You can request a quote for 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-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-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole- 3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.