2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
TL;DR: 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (CAS 122508-80-9) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: NCIOpen2_000965, 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one, 2-(Ethylthio)-6-hydroxypyrimidin-4(3H)-one, 2-(ethylsulfanyl)-6-hydroxypyrimidin-4(1H)-one, 4(1h)-pyrimidinone, 2-(ethylthio)-6-hydroxy-
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 122508-80-9 |
|---|---|
| SMILES | CCSC1=NC(=CC(=O)N1)O |
| InChIKey | XHQPPAWVXJBMRK-UHFFFAOYSA-N |
Product Overview
2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (CAS 122508-80-9), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Property Insights of 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 2-ethylsulfanyl-4-hydroxy-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 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The CAS number of 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is 122508-80-9.
What is the molecular formula of 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The molecular formula of 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is C6H8N2O2S.
What is the molecular weight of 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The molecular weight of 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is 172.03 g/mol.
Where can I buy 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
You can request a quote for 2-ethylsulfanyl-4-hydroxy-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 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.