![3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione structure](/static/products/865/865546-31-2.png)
3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione (CAS 865546-31-2) is a chemical compound with molecular formula C10H9F3N4S and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: F1386-0017, 5-Aminomethyl-4-(3-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5-(aminomethyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol, 5-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C10H9F3N4S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 2.40739 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.05 |
| Heavy Atoms | 18 |
| Complexity | 614.07074 |
Chemical Identifiers
| CAS Number | 865546-31-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NNC2=S)CN)C(F)(F)F |
Product Overview
3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione (CAS 865546-31-2), with molecular formula C10H9F3N4S and molecular weight 274.05 g/mol. IUPAC: 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 2.40739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 59.63 Ų, 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-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-[3-(trifluoromethyl)phenyl]-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-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione is 865546-31-2.
What is the molecular formula of 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione is C10H9F3N4S.
What is the molecular weight of 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione is 274.05 g/mol.
Where can I buy 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-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-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.