s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-
TL;DR: s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- (CAS 68869-54-5) is a chemical compound with molecular formula C23H21N3OS and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-, 5-(4-Biphenoxymethyl)-1-(2,4-dimethyl)phenyl-1H-1,2,4-triazole-2-thiol, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,1'-biphenyl-4-yloxymethyl)-4-(2,4-xylyl)-, 4-(2,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 5-{[([1,1'-Biphenyl]-4-yl)oxy]methyl}-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C23H21N3OS |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 5.79273 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.14053 |
| Heavy Atoms | 28 |
| Complexity | 1144.6935 |
Chemical Identifiers
| CAS Number | 68869-54-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C4=CC=CC=C4)C |
Product Overview
s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- (CAS 68869-54-5), with molecular formula C23H21N3OS and molecular weight 387.14 g/mol. IUPAC: 4-(2,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-
Property Insights of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-
The XLogP value of 5.79273 indicates that s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- 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-(2,4-dimethylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- 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-(2,4-dimethylphenyl)-?
The CAS number of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- is 68869-54-5.
What is the molecular formula of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-?
The molecular formula of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- is C23H21N3OS.
What is the molecular weight of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-?
The molecular weight of s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- is 387.14 g/mol.
Where can I buy s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-?
You can request a quote for s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- 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-(2,4-dimethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.