5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 104396-63-6) 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.
5-(4-butoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol, AN-891/13250003, 5-(4-butoxy-phenyl)-1,2-dihydro-[1,2,4]triazole-3-thione, 5-(4-butoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione, 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 3.31319 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 515.04706 |
Chemical Identifiers
| CAS Number | 104396-63-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC(=S)NN2 |
Product Overview
5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 104396-63-6), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 5-(4-butoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.31319 indicates that 5-(4-butoxyphenyl)-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 53.7 Ų, 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol has 2 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 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol is 104396-63-6.
What is the molecular formula of 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol is C12H15N3OS.
What is the molecular weight of 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol is 249.09 g/mol.
Where can I buy 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-butoxyphenyl)-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-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.