5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
TL;DR: 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CAS 89943-45-3) is a chemical compound with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one, 5-(2-hydroxyethyl)-2-methylsulfanyl-3H-pyrimidin-4-one, 5-(2-Hydroxyethyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
| Molecular Formula | C7H10N2O2S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.0463 |
| Heavy Atoms | 12 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 89943-45-3 |
|---|---|
| SMILES | CSC1=NC=C(C(=O)N1)CCO |
| InChIKey | XQBLBLYXPNVLMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CAS 89943-45-3), with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol. IUPAC: 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
Property Insights of 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
The XLogP value of -0.2 indicates that 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one 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-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The CAS number of 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is 89943-45-3.
What is the molecular formula of 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The molecular formula of 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is C7H10N2O2S.
What is the molecular weight of 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The molecular weight of 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is 186.05 g/mol.
Where can I buy 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
You can request a quote for 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.