3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-
TL;DR: 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- (CAS 134793-48-9) is a chemical compound with molecular formula C11H5F3N4OS and molecular weight 298.0136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-1-(3-sulfanylidene-2H-[1,2,4]triazino[5,6-b]indol-5-yl)ethanone
Also Known As: 3F-1,2,4-triazine derv., NCI60_006884, 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-, 1-Trifluoroacetyl-(2,3-e)(3-mercapto-1,2,4-triazin)indole, 1-Trifluoroacetyl-[2,3-e](3-mercapto-1,2,4-triazin)indole
Technical Specifications
| Molecular Formula | C11H5F3N4OS |
| Molecular Weight | 298.0136 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.0136 Da |
| Heavy Atoms | 20 |
| Complexity | 542.0 |
| SMILES | C1=CC=C2C(=C1)C3=NNC(=S)N=C3N2C(=O)C(F)(F)F |
| InChIKey | AGSZBVGKWLFZNG-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-
Property Insights of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-?
The CAS number of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- is 134793-48-9.
What is the molecular formula of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-?
The molecular formula of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- is C11H5F3N4OS.
What is the molecular weight of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-?
The molecular weight of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- is 298.0136 g/mol.
Where can I buy 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-?
You can request a quote for 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-?
Yes, CoreyChem provides custom synthesis services for 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.