![2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one structure](/static/products/3468/34682-99-0.webp)
2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
TL;DR: 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one (CAS 34682-99-0) is a chemical compound with molecular formula C5H4N4OS and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
Also Known As: 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one, 2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one, 2-mercaptopyrazolo[1,5-a][1,3,5]triazin-4-ol, 2-thioxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one, 2-SULFANYLIDENE-1H,2H,3H,4H-PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-ONE
| Molecular Formula | C5H4N4OS |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 0.08019 |
| Topological Polar Surface Area | 65.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.01057 |
| Heavy Atoms | 11 |
| Complexity | 492.642 |
Chemical Identifiers
| CAS Number | 34682-99-0 |
|---|---|
| SMILES | C1=CNN2C1=NC(=S)NC2=O |
Product Overview
2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one (CAS 34682-99-0), with molecular formula C5H4N4OS and molecular weight 168.01 g/mol. IUPAC: 2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
Chemical Property Profile of 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
Property Insights of 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
The XLogP value of 0.08019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one. The TPSA of 65.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one. Following Lipinski's Rule of Five, 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one has 2 hydrogen bond donor(s) and 3 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 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one?
The CAS number of 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one is 34682-99-0.
What is the molecular formula of 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one?
The molecular formula of 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one is C5H4N4OS.
What is the molecular weight of 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one?
The molecular weight of 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one is 168.01 g/mol.
Where can I buy 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one?
You can request a quote for 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.