4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 151297-84-6) is a chemical compound with molecular formula C9H9FN4S and molecular weight 224.05319 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(4-fluorobenzyl)-4H-1,2,4-triazole-3-thiol, 4-amino-5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazole-3-thiol, 4-amino-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione,4-amino-5-[(4-fluorophenyl)methyl]-2,4-dihydro-, 4H-1,2,4-triazole-3-thiol, 4-amino-5-[(4-fluorophenyl)methyl]-
Technical Specifications
| Molecular Formula | C9H9FN4S |
| Molecular Weight | 224.05319 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.05319 Da |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
| SMILES | C1=CC(=CC=C1CC2=NNC(=S)N2N)F |
| InChIKey | JZYRRNALZBYGTM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 151297-84-6.
What is the molecular formula of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C9H9FN4S.
What is the molecular weight of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 224.05319 g/mol.
Where can I buy 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, CoreyChem provides custom synthesis services for 4-Amino-5-((4-fluorophenyl)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.