![5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/7741/774191-47-8.webp)
5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol (CAS 774191-47-8) is a chemical compound with molecular formula C11H14N4S and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[(4-methylphenyl)methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07019905, 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol, AN-465/41587709, 3-methyl-4-[(4-methylphenyl)methylamino]-1H-1,2,4-triazole-5-thione, 5-Methyl-4-(4-methyl-benzylamino)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C11H14N4S |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.30123 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.09392 |
| Heavy Atoms | 16 |
| Complexity | 523.6627 |
Chemical Identifiers
| CAS Number | 774191-47-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNN2C(=NNC2=S)C |
Product Overview
5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol (CAS 774191-47-8), with molecular formula C11H14N4S and molecular weight 234.09 g/mol. IUPAC: 3-methyl-4-[(4-methylphenyl)methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.30123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 45.64 Ų, 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol has 2 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-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol is 774191-47-8.
What is the molecular formula of 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol is C11H14N4S.
What is the molecular weight of 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol is 234.09 g/mol.
Where can I buy 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-[(4-methylbenzyl)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.