5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 489398-16-5) is a chemical compound with molecular formula C15H12FN3S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: AN-919/40843099, 3-(2-fluorophenyl)-4-(o-tolyl)-1H-1,2,4-triazole-5(4H)-thione, 5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol, 3-(2-fluorophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C15H12FN3S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 4.04441 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0736 |
| Heavy Atoms | 20 |
| Complexity | 819.73596 |
Chemical Identifiers
| CAS Number | 489398-16-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=CC=C3F |
Product Overview
5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 489398-16-5), with molecular formula C15H12FN3S and molecular weight 285.07 g/mol. IUPAC: 3-(2-fluorophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.04441 indicates that 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 2 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-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 489398-16-5.
What is the molecular formula of 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C15H12FN3S.
What is the molecular weight of 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 285.07 g/mol.
Where can I buy 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-fluorophenyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.