5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine
TL;DR: 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine (CAS 4288-96-4) is a chemical compound with molecular formula C16H16N4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine
Also Known As: 1,2,4-Triazole Compound, 23, 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine, 5-benzylsulfanyl-N-(4-methylphenyl)-2H-1,2,4-triazol-3-amine, 5-(benzylsulfanyl)-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 4.14902 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 691.811 |
Chemical Identifiers
| CAS Number | 4288-96-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3 |
Product Overview
5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine (CAS 4288-96-4), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 3-benzylsulfanyl-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine
Property Insights of 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine
The XLogP value of 4.14902 indicates that 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine has 2 hydrogen bond donor(s) and 4 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-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine?
The CAS number of 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine is 4288-96-4.
What is the molecular formula of 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine?
The molecular formula of 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine is C16H16N4S.
What is the molecular weight of 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine?
The molecular weight of 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine is 296.11 g/mol.
Where can I buy 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine?
You can request a quote for 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.