![3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione structure](/static/products/102/1024559-44-1.png)
3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione (CAS 1024559-44-1) is a chemical compound with molecular formula C19H12F3N7OS2 and molecular weight 475.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione, 3-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIOMETHYL)-4-(4-(TRIFLUOROMETHOXY)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE, 3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione, C19H12F3N7OS2
| Molecular Formula | C19H12F3N7OS2 |
|---|---|
| Molecular Weight | 475.05 g/mol |
| LogP | 4.94029 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.04968 |
| Heavy Atoms | 32 |
| Complexity | 1474.6309 |
Chemical Identifiers
| CAS Number | 1024559-44-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC4=NNC(=S)N4C5=CC=C(C=C5)OC(F)(F)F |
Product Overview
3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione (CAS 1024559-44-1), with molecular formula C19H12F3N7OS2 and molecular weight 475.05 g/mol. IUPAC: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.94029 indicates that 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione 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 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione is 1024559-44-1.
What is the molecular formula of 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione is C19H12F3N7OS2.
What is the molecular weight of 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione is 475.05 g/mol.
Where can I buy 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.