3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione (CAS 865546-30-1) is a chemical compound with molecular formula C9H9FN4S and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: F1386-0016, 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione, 5-(aminomethyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 5-(aminomethyl)-4-(4-fluorophenyl)-2H-1,2,4-triazole-3-thione, {[4-(p-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]methyl}amine
| Molecular Formula | C9H9FN4S |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 1.52769 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.05319 |
| Heavy Atoms | 15 |
| Complexity | 513.65375 |
Chemical Identifiers
| CAS Number | 865546-30-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NNC2=S)CN)F |
Product Overview
3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione (CAS 865546-30-1), with molecular formula C9H9FN4S and molecular weight 224.05 g/mol. IUPAC: 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 1.52769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 59.63 Ų, 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione 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 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione is 865546-30-1.
What is the molecular formula of 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione is C9H9FN4S.
What is the molecular weight of 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione is 224.05 g/mol.
Where can I buy 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(aminomethyl)-4-(4-fluorophenyl)-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 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(aminomethyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.