4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-45-7) is a chemical compound with molecular formula C13H8BrClN4S2 and molecular weight 397.91 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-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(((5-Bromothiophen-2-yl)methylene)amino)-3-(3-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(5-bromo(2-thienyl))-1-azavinyl]-5-(3-chlorophenyl)-1,2,4-triazole-3 -thiol, (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H8BrClN4S2 |
|---|---|
| Molecular Weight | 397.91 g/mol |
| LogP | 4.96729 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.90622 |
| Heavy Atoms | 21 |
| Complexity | 864.936 |
Chemical Identifiers
| CAS Number | 478255-45-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C3=CC=C(S3)Br |
Product Overview
4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-45-7), with molecular formula C13H8BrClN4S2 and molecular weight 397.91 g/mol. IUPAC: 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.96729 indicates that 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol is 478255-45-7.
What is the molecular formula of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol is C13H8BrClN4S2.
What is the molecular weight of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol is 397.91 g/mol.
Where can I buy 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-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-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-CL-phenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.