3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine
TL;DR: 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine (CAS 164352-65-2) is a chemical compound with molecular formula C4H5F3N4S and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
Also Known As: 3-(methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine, Aethyl-menthyl-aether, 3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine, 3-(methylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine, 4H-1,2,4-Triazol-4-amine, 3-(methylthio)-5-(trifluoromethyl)-
| Molecular Formula | C4H5F3N4S |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 0.7326 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0187 |
| Heavy Atoms | 12 |
| Complexity | 280.32062 |
Chemical Identifiers
| CAS Number | 164352-65-2 |
|---|---|
| SMILES | CSC1=NN=C(N1N)C(F)(F)F |
Product Overview
3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine (CAS 164352-65-2), with molecular formula C4H5F3N4S and molecular weight 198.02 g/mol. IUPAC: 3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine
Property Insights of 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine
The XLogP value of 0.7326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 4 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-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine?
The CAS number of 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine is 164352-65-2.
What is the molecular formula of 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine?
The molecular formula of 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine is C4H5F3N4S.
What is the molecular weight of 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine?
The molecular weight of 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine is 198.02 g/mol.
Where can I buy 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine?
You can request a quote for 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.