![5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine structure](/static/products/4497/449746-27-4.webp)
5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine
TL;DR: 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine (CAS 449746-27-4) is a chemical compound with molecular formula C10H8BrF3N4S and molecular weight 351.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
Also Known As: 5-[(4-bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine, F3098-1565, 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine, 3-((4-bromobenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
| Molecular Formula | C10H8BrF3N4S |
|---|---|
| Molecular Weight | 351.96 g/mol |
| LogP | 3.0655 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.9605 |
| Heavy Atoms | 19 |
| Complexity | 567.144 |
Chemical Identifiers
| CAS Number | 449746-27-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(N2N)C(F)(F)F)Br |
Product Overview
5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine (CAS 449746-27-4), with molecular formula C10H8BrF3N4S and molecular weight 351.96 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine
Property Insights of 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine
The XLogP value of 3.0655 indicates that 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine 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 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine?
The CAS number of 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine is 449746-27-4.
What is the molecular formula of 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine?
The molecular formula of 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine is C10H8BrF3N4S.
What is the molecular weight of 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine?
The molecular weight of 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine is 351.96 g/mol.
Where can I buy 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine?
You can request a quote for 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Bromophenyl)methylthio]-3-(trifluoromethyl)-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.