5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole
TL;DR: 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole (CAS 84677-89-4) is a chemical compound with molecular formula C10H7F3N4OS and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[[(2-hydroxyphenyl
| Molecular Formula | C10H7F3N4OS |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.02927 |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 84677-89-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C(F)(F)F)O |
| InChIKey | IEWOTCLDQOULNQ-UHFFFAOYSA-N |
Product Overview
5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole (CAS 84677-89-4), with molecular formula C10H7F3N4OS and molecular weight 288.03 g/mol. IUPAC: 4-[(2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole
Property Insights of 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole. Following Lipinski's Rule of Five, 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole has 2 hydrogen bond donor(s) and 7 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-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole?
The CAS number of 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole is 84677-89-4.
What is the molecular formula of 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole?
The molecular formula of 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole is C10H7F3N4OS.
What is the molecular weight of 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole?
The molecular weight of 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole is 288.03 g/mol.
Where can I buy 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole?
You can request a quote for 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-4-salicylideneamino-3-trifluoromethyl-s-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.