4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione
TL;DR: 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione (CAS 124953-81-7) is a chemical compound with molecular formula C16H23N3S and molecular weight 289.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione, 4-benzyl-5-heptyl-4H-1,2,4-triazole-3-thiol, 4-benzyl-5-heptyl-2H-1,2,4-triazole-3-thione, 4-Benzyl-5-heptyl-4H-[1,2,4]triazole-3-thiol, 4-benzyl-5-heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H23N3S |
|---|---|
| Molecular Weight | 289.16 g/mol |
| LogP | 4.50189 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.16125 |
| Heavy Atoms | 20 |
| Complexity | 556.601 |
Chemical Identifiers
| CAS Number | 124953-81-7 |
|---|---|
| SMILES | CCCCCCCC1=NNC(=S)N1CC2=CC=CC=C2 |
Product Overview
4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione (CAS 124953-81-7), with molecular formula C16H23N3S and molecular weight 289.16 g/mol. IUPAC: 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione
Property Insights of 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.50189 indicates that 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione 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-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 2 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-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione is 124953-81-7.
What is the molecular formula of 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione is C16H23N3S.
What is the molecular weight of 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione is 289.16 g/mol.
Where can I buy 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.