2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one
TL;DR: 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one (CAS 881-38-9) is a chemical compound with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one
Also Known As: BAS 01150711, 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one, 2-(1,1-dioxo-3-thiolanyl)-5-methyl-1H-pyrazol-3-one, 3-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-1, 2-(1,1-diketothiolan-3-yl)-5-methyl-3-pyrazolin-3-one
| Molecular Formula | C8H12N2O3S |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | -0.15558 |
| Topological Polar Surface Area | 71.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.05687 |
| Heavy Atoms | 14 |
| Complexity | 496.9012 |
Chemical Identifiers
| CAS Number | 881-38-9 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2CCS(=O)(=O)C2 |
Product Overview
2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one (CAS 881-38-9), with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol. IUPAC: 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one
Property Insights of 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one
The XLogP value of -0.15558 indicates that 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one has 1 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-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one?
The CAS number of 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one is 881-38-9.
What is the molecular formula of 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one?
The molecular formula of 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one is C8H12N2O3S.
What is the molecular weight of 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one?
The molecular weight of 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one is 216.06 g/mol.
Where can I buy 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one?
You can request a quote for 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.