5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
TL;DR: 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole (CAS 79388-76-4) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 3-(4-methylphenyl)-5-(methylthio)-, 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole, 3-(4-METHYLPHENYL)-5-(METHYLSULFANYL)-1H-1,2,4-TRIAZOLE
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.50202 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 419.18707 |
Chemical Identifiers
| CAS Number | 79388-76-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=NN2)SC |
Product Overview
5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole (CAS 79388-76-4), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
Property Insights of 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
The XLogP value of 2.50202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole 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-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
The CAS number of 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole is 79388-76-4.
What is the molecular formula of 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
The molecular formula of 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole is C10H11N3S.
What is the molecular weight of 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
The molecular weight of 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole is 205.07 g/mol.
Where can I buy 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
You can request a quote for 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.