![6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one structure](/static/products/371/371951-52-9.png)
6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one
TL;DR: 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one (CAS 371951-52-9) is a chemical compound with molecular formula C4H3F2N3OS2 and molecular weight 210.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(difluoromethylsulfanyl)-5-sulfanylidene-2H-1,2,4-triazin-3-one
Also Known As: 6-((difluoromethyl)thio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one, 6-(difluoromethylsulfanyl)-5-sulfanylidene-2H-1,2,4-triazin-3-one, 6-[(difluoromethyl)thio]-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one, 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one, 6-[(Difluoromethyl)sulfanyl]-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one #
| Molecular Formula | C4H3F2N3OS2 |
|---|---|
| Molecular Weight | 210.97 g/mol |
| LogP | 1.14219 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.96857 |
| Heavy Atoms | 12 |
| Complexity | 373.056 |
Chemical Identifiers
| CAS Number | 371951-52-9 |
|---|---|
| SMILES | C1(=S)C(=NNC(=O)N1)SC(F)F |
Product Overview
6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one (CAS 371951-52-9), with molecular formula C4H3F2N3OS2 and molecular weight 210.97 g/mol. IUPAC: 6-(difluoromethylsulfanyl)-5-sulfanylidene-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one
Property Insights of 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one
The XLogP value of 1.14219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one. Following Lipinski's Rule of Five, 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one 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-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one?
The CAS number of 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one is 371951-52-9.
What is the molecular formula of 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one?
The molecular formula of 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one is C4H3F2N3OS2.
What is the molecular weight of 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one?
The molecular weight of 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one is 210.97 g/mol.
Where can I buy 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one?
You can request a quote for 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Difluoromethylsulfanyl-5-thioxo-4,5-dihydro-2H-[1,2,4]triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.