4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 259154-01-3) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-5-(2-furyl)-4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, BAS 01025309, BIM-0029797.P001
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 259154-01-3 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NNC2=S)C3=CC=CO3 |
| InChIKey | HUMGDSMVFUPLEV-UHFFFAOYSA-N |
Product Overview
4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 259154-01-3), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 4-cyclohexyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-cyclohexyl-5-(furan-2-yl)-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-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is 259154-01-3.
What is the molecular formula of 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is C12H15N3OS.
What is the molecular weight of 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is 249.09 g/mol.
Where can I buy 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-cyclohexyl-5-(furan-2-yl)-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-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.