5-Chloro-2-(methylthio)pyrimidin-4-ol
TL;DR: 5-Chloro-2-(methylthio)pyrimidin-4-ol (CAS 61044-94-8) is a chemical compound with molecular formula C5H5ClN2OS and molecular weight 175.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: 5-Chloro-2-(methylthio)pyrimidin-4-ol, 5-chloro-2-(methylthio)pyrimidin-4(3H)-one, 4-hydroxy-5-chloro-2-methylthiopyrimidine, 5-chloro-2-methylsulfanyl-1H-pyrimidin-6-one, 5-chloro-2-(methylsulfanyl)pyrimidin-4-ol
| Molecular Formula | C5H5ClN2OS |
|---|---|
| Molecular Weight | 175.98 g/mol |
| LogP | 1.1452 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.98111 |
| Heavy Atoms | 10 |
| Complexity | 285.2216 |
Chemical Identifiers
| CAS Number | 61044-94-8 |
|---|---|
| SMILES | CSC1=NC=C(C(=O)N1)Cl |
Product Overview
5-Chloro-2-(methylthio)pyrimidin-4-ol (CAS 61044-94-8), with molecular formula C5H5ClN2OS and molecular weight 175.98 g/mol. IUPAC: 5-chloro-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Chloro-2-(methylthio)pyrimidin-4-ol
Property Insights of 5-Chloro-2-(methylthio)pyrimidin-4-ol
The XLogP value of 1.1452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(methylthio)pyrimidin-4-ol. With a topological polar surface area (TPSA) of 45.75 Ų, 5-Chloro-2-(methylthio)pyrimidin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(methylthio)pyrimidin-4-ol 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 5-Chloro-2-(methylthio)pyrimidin-4-ol?
The CAS number of 5-Chloro-2-(methylthio)pyrimidin-4-ol is 61044-94-8.
What is the molecular formula of 5-Chloro-2-(methylthio)pyrimidin-4-ol?
The molecular formula of 5-Chloro-2-(methylthio)pyrimidin-4-ol is C5H5ClN2OS.
What is the molecular weight of 5-Chloro-2-(methylthio)pyrimidin-4-ol?
The molecular weight of 5-Chloro-2-(methylthio)pyrimidin-4-ol is 175.98 g/mol.
Where can I buy 5-Chloro-2-(methylthio)pyrimidin-4-ol?
You can request a quote for 5-Chloro-2-(methylthio)pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(methylthio)pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(methylthio)pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.