4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol (CAS 83673-68-1) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dibenzyl-1H-1,2,4-triazole-5-thione
Also Known As: 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol, dibenzyltriazolethiol, Maybridge4_001938, 3,4-dibenzyl-1H-1,2,4-triazole-5-thione, JS-139C
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 83673-68-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3 |
| InChIKey | ZHRFGHHXGMDPGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol (CAS 83673-68-1), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 3,4-dibenzyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.1 indicates that 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol is 83673-68-1.
What is the molecular formula of 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol is C16H15N3S.
What is the molecular weight of 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol is 281.10 g/mol.
Where can I buy 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4,5-Dibenzyl-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 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dibenzyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.