![3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine structure](/static/products/3005/300541-57-5.webp)
3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine
TL;DR: 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine (CAS 300541-57-5) is a chemical compound with molecular formula C15H8Cl2F3N5O2S and molecular weight 448.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-4-amine
Also Known As: 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine, 3-(3,5-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-4-amine, 3-(3,5-Dichlorophenyl)-5-([2-nitro-4-(trifluoromethyl)phenyl]thio)-4H-1,2,4-triazol-4-amine, 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazol-4-amine
| Molecular Formula | C15H8Cl2F3N5O2S |
|---|---|
| Molecular Weight | 448.97 g/mol |
| LogP | 5.0439 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.97278 |
| Heavy Atoms | 28 |
| Complexity | 1054.0653 |
Chemical Identifiers
| CAS Number | 300541-57-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NN=C(N2N)C3=CC(=CC(=C3)Cl)Cl |
Product Overview
3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine (CAS 300541-57-5), with molecular formula C15H8Cl2F3N5O2S and molecular weight 448.97 g/mol. IUPAC: 3-(3,5-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine
Property Insights of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine
The XLogP value of 5.0439 indicates that 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine is 300541-57-5.
What is the molecular formula of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine is C15H8Cl2F3N5O2S.
What is the molecular weight of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine is 448.97 g/mol.
Where can I buy 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-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-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.