![4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole structure](/static/products/2948/294848-72-9.webp)
4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole
TL;DR: 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 294848-72-9) is a chemical compound with molecular formula C15H15N3S2 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
Also Known As: 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole, 4-Methyl-3-((2-methylbenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole, 4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole, 4-methyl-3-(o-tolylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazole, 4-methyl-3-[(2-methylbenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazole
| Molecular Formula | C15H15N3S2 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07074 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 294848-72-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=CS3 |
| InChIKey | VJTNNIOWMBZUGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 294848-72-9), with molecular formula C15H15N3S2 and molecular weight 301.07 g/mol. IUPAC: 4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole.
Chemical Property Profile of 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole
Property Insights of 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole
The XLogP value of 3.5 indicates that 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole has 0 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 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The CAS number of 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole is 294848-72-9.
What is the molecular formula of 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular formula of 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole is C15H15N3S2.
What is the molecular weight of 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular weight of 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole is 301.07 g/mol.
Where can I buy 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole?
You can request a quote for 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-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 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-{[(2-methylphenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.