6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one
TL;DR: 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one (CAS 6965-69-1) is a chemical compound with molecular formula C11H8Cl2N2OS and molecular weight 285.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one, 6-[(2,4-dichlorobenzyl)sulfanyl]pyrimidin-4(3h)-one, 4-[(2,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one, 6-(2,4-dichloro-benzylsulfanyl)-3H-pyrimidin-4-one, 6-{[(2,4-Dichlorophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one
| Molecular Formula | C11H8Cl2N2OS |
|---|---|
| Molecular Weight | 285.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.97345 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 6965-69-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSC2=CC(=O)NC=N2 |
| InChIKey | FOKKLQVJXYUTKJ-UHFFFAOYSA-N |
Product Overview
6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one (CAS 6965-69-1), with molecular formula C11H8Cl2N2OS and molecular weight 285.97 g/mol. IUPAC: 4-[(2,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one
Property Insights of 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-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 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one?
The CAS number of 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one is 6965-69-1.
What is the molecular formula of 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one?
The molecular formula of 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one is C11H8Cl2N2OS.
What is the molecular weight of 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one?
The molecular weight of 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one is 285.97 g/mol.
Where can I buy 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one?
You can request a quote for 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-((2,4-Dichlorobenzyl)thio)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.