5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 83673-58-9) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, BAS 02171009, BB 0217712, 3-benzyl-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.52929 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 775.2867 |
Chemical Identifiers
| CAS Number | 83673-58-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CC=C3 |
Product Overview
5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 83673-58-9), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 3-benzyl-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.52929 indicates that 5-benzyl-4-(4-methoxyphenyl)-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 42.84 Ų, 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzyl-4-(4-methoxyphenyl)-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 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 83673-58-9.
What is the molecular formula of 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C16H15N3OS.
What is the molecular weight of 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 297.09 g/mol.
Where can I buy 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-benzyl-4-(4-methoxyphenyl)-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-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.