6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 7597-77-5) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-Acetyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C6H6N2O2S |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 0.63509 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.015 |
| Heavy Atoms | 11 |
| Complexity | 361.80902 |
Chemical Identifiers
| CAS Number | 7597-77-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=O)NC(=S)N1 |
Product Overview
6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 7597-77-5), with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol. IUPAC: 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 0.63509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-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 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one is 7597-77-5.
What is the molecular formula of 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one is C6H6N2O2S.
What is the molecular weight of 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one is 170.01 g/mol.
Where can I buy 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.