4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol (CAS 24848-20-2) is a chemical compound with molecular formula C3H3F3N4S and molecular weight 184.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol, CINAMETICACID, 4-Amino-5-trifluoromethyl-4H-[1,2,4]triazole-3-thiol, 2,6-Difluoro-3-nitrobenzonitrile, 4-amino-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C3H3F3N4S |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 0.67329 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.00305 |
| Heavy Atoms | 11 |
| Complexity | 309.11755 |
Chemical Identifiers
| CAS Number | 24848-20-2 |
|---|---|
| SMILES | C1(=NNC(=S)N1N)C(F)(F)F |
Product Overview
4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol (CAS 24848-20-2), with molecular formula C3H3F3N4S and molecular weight 184.00 g/mol. IUPAC: 4-amino-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.67329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.63 Ų, 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol 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 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is 24848-20-2.
What is the molecular formula of 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is C3H3F3N4S.
What is the molecular weight of 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is 184.00 g/mol.
Where can I buy 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.