3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
TL;DR: 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 578747-34-9) 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-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
Also Known As: 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine, 3-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine, 3-[(2-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine, 3-[(2-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-ylamine, 3-[(2-methylphenyl)methylthio]-5-phenyl-1,2,4-triazole-4-ylamine
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.25962 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 737.0427 |
Chemical Identifiers
| CAS Number | 578747-34-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NN=C(N2N)C3=CC=CC=C3 |
Product Overview
3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 578747-34-9), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 3-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
Property Insights of 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
The XLogP value of 3.25962 indicates that 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine has 1 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 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
The CAS number of 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine is 578747-34-9.
What is the molecular formula of 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine is C16H16N4S.
What is the molecular weight of 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine is 296.11 g/mol.
Where can I buy 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.