![5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one structure](/static/products/2008/20085-44-3.webp)
5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
TL;DR: 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (CAS 20085-44-3) is a chemical compound with molecular formula C4H3N5OS and molecular weight 169.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
Also Known As: 5-thiono-7-oxo-sym-triazolo[1,5-a]-sym-triazine, 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one, 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-on, 5,6-Dihydro-5-thioxo[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one, 5-Sulfanylidene-5,6-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one
| Molecular Formula | C4H3N5OS |
|---|---|
| Molecular Weight | 169.01 g/mol |
| LogP | -0.52481 |
| Topological Polar Surface Area | 78.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.00583 |
| Heavy Atoms | 11 |
| Complexity | 492.642 |
Chemical Identifiers
| CAS Number | 20085-44-3 |
|---|---|
| SMILES | C1=NC2=NC(=S)NC(=O)N2N1 |
Product Overview
5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (CAS 20085-44-3), with molecular formula C4H3N5OS and molecular weight 169.01 g/mol. IUPAC: 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.
Chemical Property Profile of 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
Property Insights of 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
The XLogP value of -0.52481 indicates that 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one. Following Lipinski's Rule of Five, 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-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 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The CAS number of 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is 20085-44-3.
What is the molecular formula of 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The molecular formula of 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is C4H3N5OS.
What is the molecular weight of 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The molecular weight of 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is 169.01 g/mol.
Where can I buy 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
You can request a quote for 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.