s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-
TL;DR: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- (CAS 68869-50-1) is a chemical compound with molecular formula C21H16BrN3OS and molecular weight 437.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-, 5-(4-Biphenoxymethyl)-1-(4-bromophenyl)-1H-1,2,4-triazole-2-thiol, 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 5-{[([1,1'-Biphenyl]-4-yl)oxy]methyl}-4-(4-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, RefChem:379742
| Molecular Formula | C21H16BrN3OS |
|---|---|
| Molecular Weight | 437.02 g/mol |
| LogP | 5.93839 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.01974 |
| Heavy Atoms | 27 |
| Complexity | 1086.9922 |
Chemical Identifiers
| CAS Number | 68869-50-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3C4=CC=C(C=C4)Br |
Product Overview
s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- (CAS 68869-50-1), with molecular formula C21H16BrN3OS and molecular weight 437.02 g/mol. IUPAC: 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-
Property Insights of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-
The XLogP value of 5.93839 indicates that s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-?
The CAS number of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- is 68869-50-1.
What is the molecular formula of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-?
The molecular formula of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- is C21H16BrN3OS.
What is the molecular weight of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-?
The molecular weight of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- is 437.02 g/mol.
Where can I buy s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-?
You can request a quote for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.