5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 828277-47-0) is a chemical compound with molecular formula C10H12BrN3S2 and molecular weight 316.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione, 5-(4-Bromo-5-ethyl-thiophen-2-yl)-4-ethyl-4H-[1,2,4]triazole-3-thiol, 5-(4-bromo-5-ethyl(2-thienyl))-4-ethyl-1,2,4-triazole-3-thiol, 3-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C10H12BrN3S2 |
|---|---|
| Molecular Weight | 316.97 g/mol |
| LogP | 4.01399 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.9656 |
| Heavy Atoms | 16 |
| Complexity | 552.6554 |
Chemical Identifiers
| CAS Number | 828277-47-0 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C2=NNC(=S)N2CC)Br |
Product Overview
5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 828277-47-0), with molecular formula C10H12BrN3S2 and molecular weight 316.97 g/mol. IUPAC: 3-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.01399 indicates that 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-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 33.61 Ų, 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 828277-47-0.
What is the molecular formula of 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is C10H12BrN3S2.
What is the molecular weight of 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 316.97 g/mol.
Where can I buy 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-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-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.