4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol (CAS 613249-88-0) is a chemical compound with molecular formula C15H13BrN4OS2 and molecular weight 407.97 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-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(((5-BR-2-THIENYL)METHYLENE)AMINO)-5-(3-ETHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-(((5-Bromothiophen-2-yl)methylene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-[(1E)-2-(5-bromo(2-thienyl))-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazole-3 -thiol, (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H13BrN4OS2 |
|---|---|
| Molecular Weight | 407.97 g/mol |
| LogP | 4.71259 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.9714 |
| Heavy Atoms | 23 |
| Complexity | 896.7715 |
Chemical Identifiers
| CAS Number | 613249-88-0 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(S3)Br |
Product Overview
4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol (CAS 613249-88-0), with molecular formula C15H13BrN4OS2 and molecular weight 407.97 g/mol. IUPAC: 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.71259 indicates that 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-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 55.2 Ų, 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-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-ethoxy-PH)-4H-1,2,4-triazole-3-thiol has 1 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-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol is 613249-88-0.
What is the molecular formula of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol is C15H13BrN4OS2.
What is the molecular weight of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol is 407.97 g/mol.
Where can I buy 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-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-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(((5-BR-2-Thienyl)methylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.