5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol
TL;DR: 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol (CAS 866142-48-5) is a chemical compound with molecular formula C15H20N4S and molecular weight 288.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzylpiperidin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(1-benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol, 3-(1-benzylpiperidin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione, 8X-0217, 5- -4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(1-benzyl-4-piperidinyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide
| Molecular Formula | C15H20N4S |
|---|---|
| Molecular Weight | 288.14 g/mol |
| LogP | 2.85729 |
| Topological Polar Surface Area | 36.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.14087 |
| Heavy Atoms | 20 |
| Complexity | 608.3038 |
Chemical Identifiers
| CAS Number | 866142-48-5 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol (CAS 866142-48-5), with molecular formula C15H20N4S and molecular weight 288.14 g/mol. IUPAC: 3-(1-benzylpiperidin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol
Property Insights of 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol
The XLogP value of 2.85729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 36.85 Ų, 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Benzylpiperidin-4-yl)-4-methyl-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-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol?
The CAS number of 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol is 866142-48-5.
What is the molecular formula of 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol?
The molecular formula of 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol is C15H20N4S.
What is the molecular weight of 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol?
The molecular weight of 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol is 288.14 g/mol.
Where can I buy 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol?
You can request a quote for 5-(1-Benzylpiperidin-4-yl)-4-methyl-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-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.