4-Pyrimidinol, 2-acetonylthio-
TL;DR: 4-Pyrimidinol, 2-acetonylthio- (CAS 17649-28-4) is a chemical compound with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxopropylsulfanyl)-1H-pyrimidin-6-one
Also Known As: 4-Pyrimidinol, 2-acetonylthio-, 4(3H)-Pyrimidinone, 2-[(2-oxopropyl)thio]-, 2-(2-oxopropylsulfanyl)-1H-pyrimidin-6-one, 2-[(2-oxopropyl)sulfanyl]pyrimidin-4(3h)-one, 1-[(4-Hydroxy-2-pyrimidinyl)sulfanyl]acetone #
| Molecular Formula | C7H8N2O2S |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.03065 |
| Heavy Atoms | 12 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 17649-28-4 |
|---|---|
| SMILES | CC(=O)CSC1=NC=CC(=O)N1 |
| InChIKey | RMXCAFQUMVZKDD-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinol, 2-acetonylthio- (CAS 17649-28-4), with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol. IUPAC: 2-(2-oxopropylsulfanyl)-1H-pyrimidin-6-one.
Chemical Property Profile of 4-Pyrimidinol, 2-acetonylthio-
Property Insights of 4-Pyrimidinol, 2-acetonylthio-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinol, 2-acetonylthio-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinol, 2-acetonylthio-. Following Lipinski's Rule of Five, 4-Pyrimidinol, 2-acetonylthio- has 1 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 4-Pyrimidinol, 2-acetonylthio-?
The CAS number of 4-Pyrimidinol, 2-acetonylthio- is 17649-28-4.
What is the molecular formula of 4-Pyrimidinol, 2-acetonylthio-?
The molecular formula of 4-Pyrimidinol, 2-acetonylthio- is C7H8N2O2S.
What is the molecular weight of 4-Pyrimidinol, 2-acetonylthio-?
The molecular weight of 4-Pyrimidinol, 2-acetonylthio- is 184.03 g/mol.
Where can I buy 4-Pyrimidinol, 2-acetonylthio-?
You can request a quote for 4-Pyrimidinol, 2-acetonylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinol, 2-acetonylthio-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinol, 2-acetonylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.