6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 113307-06-5) is a chemical compound with molecular formula C6H2F7N3O2S and molecular weight 312.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2H-1,2,4-triazine-3,5-dione
Also Known As: BAS 00312462, 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione, F1472-0185, 6-Heptafluoropropylsulfanyl-2H-[1,2,4]triazine-3,5-dione, 6-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2H-1,2,4-triazine-3,5-dione
| Molecular Formula | C6H2F7N3O2S |
|---|---|
| Molecular Weight | 312.98 g/mol |
| LogP | 1.3407 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.9756 |
| Heavy Atoms | 19 |
| Complexity | 577.176 |
Chemical Identifiers
| CAS Number | 113307-06-5 |
|---|---|
| SMILES | C1(=O)C(=NNC(=O)N1)SC(C(C(F)(F)F)(F)F)(F)F |
Product Overview
6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 113307-06-5), with molecular formula C6H2F7N3O2S and molecular weight 312.98 g/mol. IUPAC: 6-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of 1.3407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione has 2 hydrogen bond donor(s) and 4 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 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione is 113307-06-5.
What is the molecular formula of 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione is C6H2F7N3O2S.
What is the molecular weight of 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione is 312.98 g/mol.
Where can I buy 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-((perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.