4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol (CAS 85106-90-7) is a chemical compound with molecular formula C8H7BrN4S and molecular weight 269.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(4-bromophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol, 4-amino-3-(4-bromophenyl)-1H-1,2,4-triazole-5-thione, BAS 00792556, J2.234.114F, 4-amino-5-(4-bromophenyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C8H7BrN4S |
|---|---|
| Molecular Weight | 269.96 g/mol |
| LogP | 2.08399 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.9575 |
| Heavy Atoms | 14 |
| Complexity | 498.805 |
Chemical Identifiers
| CAS Number | 85106-90-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)N2N)Br |
Product Overview
4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol (CAS 85106-90-7), with molecular formula C8H7BrN4S and molecular weight 269.96 g/mol. IUPAC: 4-amino-3-(4-bromophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.08399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.63 Ų, 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol has 2 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 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol is 85106-90-7.
What is the molecular formula of 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol is C8H7BrN4S.
What is the molecular weight of 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol is 269.96 g/mol.
Where can I buy 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(4-bromophenyl)-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-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.