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6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one
TL;DR: 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one (CAS 6960-19-6) is a chemical compound with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methylsulfanyl]-1H-pyrimidin-2-one
Also Known As: 6-[(2-chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one, 4-((2-chlorobenzyl)thio)pyrimidin-2(1H)-one, 4-(2-chloro-benzylsulfanyl)-1H-pyrimidin-2-one, 2(1H)-Pyrimidinone,6-[[(2-chlorophenyl)methyl]thio]-, 6-[(2-chlorophenyl)methylsulfanyl]-1H-pyrimidin-2-one
| Molecular Formula | C11H9ClN2OS |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0124 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 6960-19-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=CC=NC(=O)N2)Cl |
| InChIKey | QVURUTZKRYAIRJ-UHFFFAOYSA-N |
Product Overview
6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one (CAS 6960-19-6), with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol. IUPAC: 6-[(2-chlorophenyl)methylsulfanyl]-1H-pyrimidin-2-one.
Chemical Property Profile of 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one
Property Insights of 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one. Following Lipinski's Rule of Five, 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one has 1 hydrogen bond donor(s) and 2 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-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one?
The CAS number of 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one is 6960-19-6.
What is the molecular formula of 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one?
The molecular formula of 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one is C11H9ClN2OS.
What is the molecular weight of 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one?
The molecular weight of 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one is 252.01 g/mol.
Where can I buy 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one?
You can request a quote for 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-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-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(2-Chlorobenzyl)sulfanyl]pyrimidin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.