s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-
TL;DR: s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- (CAS 68869-43-2) is a chemical compound with molecular formula C21H17N3OS and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-, 5-(4-Biphenoxymethyl)-1-phenyl-1H-1,2,4-triazole-2-thiol, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(((1,1'-biphenyl)-4-yloxy)methyl)-4-phenyl-, 4H-1,2,4-Triazole-3-thiol, 5-(4-biphenyloxy)-4-phenyl-, 4-phenyl-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C21H17N3OS |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 5.17589 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.10922 |
| Heavy Atoms | 26 |
| Complexity | 1038.0786 |
Chemical Identifiers
| CAS Number | 68869-43-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4 |
Product Overview
s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- (CAS 68869-43-2), with molecular formula C21H17N3OS and molecular weight 359.11 g/mol. IUPAC: 4-phenyl-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-
Property Insights of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-
The XLogP value of 5.17589 indicates that s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- 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-biphenylyloxymethyl)-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- 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-biphenylyloxymethyl)-1-phenyl-?
The CAS number of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- is 68869-43-2.
What is the molecular formula of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-?
The molecular formula of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- is C21H17N3OS.
What is the molecular weight of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-?
The molecular weight of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- is 359.11 g/mol.
Where can I buy s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-?
You can request a quote for s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- 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-biphenylyloxymethyl)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.