s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)-
TL;DR: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- (CAS 68869-45-4) is a chemical compound with molecular formula C22H19N3OS and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)-, 5-(4-Biphenoxymethyl)-1-(m-tolyl)-s-triazole-2-thiol, 5-(4-Biphenoxymethyl)-1-(3-methylphenyl)-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-(3-methylphenyl)-, 4-(3-methylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C22H19N3OS |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 5.48431 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.12488 |
| Heavy Atoms | 27 |
| Complexity | 1098.3734 |
Chemical Identifiers
| CAS Number | 68869-45-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- (CAS 68869-45-4), with molecular formula C22H19N3OS and molecular weight 373.12 g/mol. IUPAC: 4-(3-methylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)-
Property Insights of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)-
The XLogP value of 5.48431 indicates that s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- 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-(m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- 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-(m-tolyl)-?
The CAS number of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- is 68869-45-4.
What is the molecular formula of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)-?
The molecular formula of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- is C22H19N3OS.
What is the molecular weight of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)-?
The molecular weight of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- is 373.12 g/mol.
Where can I buy s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)-?
You can request a quote for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- 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-(m-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(m-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.