5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione
TL;DR: 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione (CAS 1833-22-3) is a chemical compound with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-Acetyl-thiobarbitursaure, 5-Acetyl-1,3-dimethylbarbituric Acid, 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione, 5-acetyl-2-sulfanylidene-1,3-diazinane-4,6-dione, A3164/0133874
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 1833-22-3 |
|---|---|
| SMILES | CC(=O)C1C(=O)NC(=S)NC1=O |
| InChIKey | QFNRROFKXIZJGJ-UHFFFAOYSA-N |
Product Overview
5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione (CAS 1833-22-3), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: 5-acetyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione
Property Insights of 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione
The XLogP value of -0.6 indicates that 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione. Following Lipinski's Rule of Five, 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione 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-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione?
The CAS number of 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione is 1833-22-3.
What is the molecular formula of 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione?
The molecular formula of 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione is C6H6N2O3S.
What is the molecular weight of 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione?
The molecular weight of 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione is 186.01 g/mol.
Where can I buy 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione?
You can request a quote for 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-thioxo-dihydro-pyrimidine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.