6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one
TL;DR: 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one (CAS 879920-59-9) is a chemical compound with molecular formula C9H7N3O2S2 and molecular weight 253.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-oxo-2-thiophen-2-ylethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: VU0607280-1, F3250-0585, 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one, 3-mercapto-6-[(2-thenoyl)methyl]-1,2,4-triazin-5(4H)-one, 6-(2-oxo-2-thiophen-2-ylethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
| Molecular Formula | C9H7N3O2S2 |
|---|---|
| Molecular Weight | 253.00 g/mol |
| LogP | 1.31439 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.99797 |
| Heavy Atoms | 16 |
| Complexity | 612.1795 |
Chemical Identifiers
| CAS Number | 879920-59-9 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CC2=NNC(=S)NC2=O |
Product Overview
6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one (CAS 879920-59-9), with molecular formula C9H7N3O2S2 and molecular weight 253.00 g/mol. IUPAC: 6-(2-oxo-2-thiophen-2-ylethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one
Property Insights of 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one
The XLogP value of 1.31439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one has 2 hydrogen bond donor(s) and 5 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-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one?
The CAS number of 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one is 879920-59-9.
What is the molecular formula of 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one?
The molecular formula of 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one is C9H7N3O2S2.
What is the molecular weight of 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one?
The molecular weight of 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one is 253.00 g/mol.
Where can I buy 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one?
You can request a quote for 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-oxo-2-(2-thienyl)ethyl)-3-sulfanyl-4H-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.