2-(Methylthio)pyrimidine-5-boronic acid
TL;DR: 2-(Methylthio)pyrimidine-5-boronic acid (CAS 348098-29-3) is a chemical compound with molecular formula C5H7BN2O2S and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanylpyrimidin-5-yl)boronic acid
Also Known As: 2-(Methylthio)pyrimidine-5-boronic acid, (2-(Methylthio)pyrimidin-5-yl)boronic acid, (2-methylsulfanylpyrimidin-5-yl)boronic Acid, [2-(METHYLSULFANYL)PYRIMIDIN-5-YL]BORONIC ACID, 2-(Methylthio)pyrimidine-5-boronicacid
| Molecular Formula | C5H7BN2O2S |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -1.1217 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03214 |
| Heavy Atoms | 11 |
| Complexity | 228.42896 |
Chemical Identifiers
| CAS Number | 348098-29-3 |
|---|---|
| SMILES | B(C1=CN=C(N=C1)SC)(O)O |
Product Overview
2-(Methylthio)pyrimidine-5-boronic acid (CAS 348098-29-3), with molecular formula C5H7BN2O2S and molecular weight 170.03 g/mol. IUPAC: (2-methylsulfanylpyrimidin-5-yl)boronic acid.
Chemical Property Profile of 2-(Methylthio)pyrimidine-5-boronic acid
Property Insights of 2-(Methylthio)pyrimidine-5-boronic acid
The XLogP value of -1.1217 indicates that 2-(Methylthio)pyrimidine-5-boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)pyrimidine-5-boronic acid. Following Lipinski's Rule of Five, 2-(Methylthio)pyrimidine-5-boronic acid has 2 hydrogen bond donor(s) and 5 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-(Methylthio)pyrimidine-5-boronic acid?
The CAS number of 2-(Methylthio)pyrimidine-5-boronic acid is 348098-29-3.
What is the molecular formula of 2-(Methylthio)pyrimidine-5-boronic acid?
The molecular formula of 2-(Methylthio)pyrimidine-5-boronic acid is C5H7BN2O2S.
What is the molecular weight of 2-(Methylthio)pyrimidine-5-boronic acid?
The molecular weight of 2-(Methylthio)pyrimidine-5-boronic acid is 170.03 g/mol.
Where can I buy 2-(Methylthio)pyrimidine-5-boronic acid?
You can request a quote for 2-(Methylthio)pyrimidine-5-boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)pyrimidine-5-boronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)pyrimidine-5-boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.