4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione (CAS 839685-90-4) is a chemical compound with molecular formula C14H11BrN4S and molecular weight 345.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: A3919/0166753, 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 4-(2-bromo-4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(2-BROMO-4-METHYLPHENYL)-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(2-bromo-4-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H11BrN4S |
|---|---|
| Molecular Weight | 345.99 g/mol |
| LogP | 4.06281 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.98877 |
| Heavy Atoms | 20 |
| Complexity | 807.54126 |
Chemical Identifiers
| CAS Number | 839685-90-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CN=CC=C3)Br |
Product Overview
4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione (CAS 839685-90-4), with molecular formula C14H11BrN4S and molecular weight 345.99 g/mol. IUPAC: 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.06281 indicates that 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione 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 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is 839685-90-4.
What is the molecular formula of 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is C14H11BrN4S.
What is the molecular weight of 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is 345.99 g/mol.
Where can I buy 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.