![1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- structure](/static/products/1133/113307-05-4.webp)
1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-
TL;DR: 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- (CAS 113307-05-4) is a chemical compound with molecular formula C4H2F3N3O2S and molecular weight 212.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethylsulfanyl)-2H-1,2,4-triazine-3,5-dione
Also Known As: 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-, 6-(trifluoromethylsulfanyl)-2H-1,2,4-triazine-3,5-dione, 6-((trifluoromethyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione, 6-[(Trifluoromethyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione, 1,2,4-Triazine-3,5(2H,4H)-dione, 6-trifluoromethylthio-
| Molecular Formula | C4H2F3N3O2S |
|---|---|
| Molecular Weight | 212.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.98198 |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 113307-05-4 |
|---|---|
| SMILES | C1(=O)C(=NNC(=O)N1)SC(F)(F)F |
| InChIKey | XTAGAXJYRDDXOS-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- (CAS 113307-05-4), with molecular formula C4H2F3N3O2S and molecular weight 212.98 g/mol. IUPAC: 6-(trifluoromethylsulfanyl)-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-
Property Insights of 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-. Following Lipinski's Rule of Five, 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- 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 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-?
The CAS number of 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- is 113307-05-4.
What is the molecular formula of 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-?
The molecular formula of 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- is C4H2F3N3O2S.
What is the molecular weight of 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-?
The molecular weight of 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- is 212.98 g/mol.
Where can I buy 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-?
You can request a quote for 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(trifluoromethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.