4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 866152-81-0) is a chemical compound with molecular formula C10H7F4N3S and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione, 4-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C10H7F4N3S |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 3.14689 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0297 |
| Heavy Atoms | 18 |
| Complexity | 596.82074 |
Chemical Identifiers
| CAS Number | 866152-81-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=NNC2=S)C(F)(F)F)F |
Product Overview
4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 866152-81-0), with molecular formula C10H7F4N3S and molecular weight 277.03 g/mol. IUPAC: 4-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.14689 indicates that 4-(4-fluorobenzyl)-5-(trifluoromethyl)-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, 4-(4-fluorobenzyl)-5-(trifluoromethyl)-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, 4-(4-fluorobenzyl)-5-(trifluoromethyl)-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 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 866152-81-0.
What is the molecular formula of 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C10H7F4N3S.
What is the molecular weight of 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 277.03 g/mol.
Where can I buy 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-(4-fluorobenzyl)-5-(trifluoromethyl)-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 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-fluorobenzyl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.