![5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol structure](/static/products/5405/540518-43-2.webp)
5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 540518-43-2) is a chemical compound with molecular formula C16H20ClN3S2 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanylmethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol, 5-(((2-Chlorobenzyl)thio)methyl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol, 3-[(2-chlorophenyl)methylsulfanylmethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione, 5-([(2-Chlorobenzyl)thio]methyl)-4-cyclohexyl-4h-1,2,4-triazole-3-thiol, 4H-1,2,4-triazole-3-thiol, 5-[[[(2-chlorophenyl)methyl]thio]methyl]-4-cyclohexyl-
| Molecular Formula | C16H20ClN3S2 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 5.53269 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0787 |
| Heavy Atoms | 22 |
| Complexity | 674.0256 |
Chemical Identifiers
| CAS Number | 540518-43-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NNC2=S)CSCC3=CC=CC=C3Cl |
Product Overview
5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 540518-43-2), with molecular formula C16H20ClN3S2 and molecular weight 353.08 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanylmethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.53269 indicates that 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-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 33.61 Ų, 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol 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 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol is 540518-43-2.
What is the molecular formula of 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol is C16H20ClN3S2.
What is the molecular weight of 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol is 353.08 g/mol.
Where can I buy 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-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 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2-chlorobenzyl)thio]methyl}-4-cyclohexyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.