4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 522606-85-5) is a chemical compound with molecular formula C13H17N3S2 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, 4-Cyclohexyl-5-thiophen-2-ylmethyl-4H-[1,2,4]triazole-3-thiol, AB00713588-01, 4-cyclohexyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 4-cyclohexyl-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H17N3S2 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 4.09819 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0864 |
| Heavy Atoms | 18 |
| Complexity | 547.0534 |
Chemical Identifiers
| CAS Number | 522606-85-5 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NNC2=S)CC3=CC=CS3 |
Product Overview
4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 522606-85-5), with molecular formula C13H17N3S2 and molecular weight 279.09 g/mol. IUPAC: 4-cyclohexyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.09819 indicates that 4-cyclohexyl-5-(thiophen-2-ylmethyl)-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, 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 522606-85-5.
What is the molecular formula of 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is C13H17N3S2.
What is the molecular weight of 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 279.09 g/mol.
Where can I buy 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-cyclohexyl-5-(thiophen-2-ylmethyl)-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-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.