2-(Methylthio)benzeneboronic acid
TL;DR: 2-(Methylthio)benzeneboronic acid (CAS 946729-10-8) is a chemical compound with molecular formula C7H9BO2S and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanylphenyl)boronic acid
Also Known As: 2-(Methylthio)phenylboronic acid, 2-Methylthiophenylboronic acid, (2-(Methylthio)phenyl)boronic acid, (2-methylsulfanylphenyl)boronic Acid, 2-(Methylthio)benzeneboronic Acid
| Molecular Formula | C7H9BO2S |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.0883 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04163 |
| Heavy Atoms | 11 |
| Complexity | 239.63712 |
Chemical Identifiers
| CAS Number | 946729-10-8 |
|---|---|
| SMILES | B(C1=CC=CC=C1SC)(O)O |
Product Overview
2-(Methylthio)benzeneboronic acid (CAS 946729-10-8), with molecular formula C7H9BO2S and molecular weight 168.04 g/mol. IUPAC: (2-methylsulfanylphenyl)boronic acid.
Chemical Property Profile of 2-(Methylthio)benzeneboronic acid
Property Insights of 2-(Methylthio)benzeneboronic acid
The XLogP value of 0.0883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)benzeneboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2-(Methylthio)benzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)benzeneboronic acid has 2 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 2-(Methylthio)benzeneboronic acid?
The CAS number of 2-(Methylthio)benzeneboronic acid is 946729-10-8.
What is the molecular formula of 2-(Methylthio)benzeneboronic acid?
The molecular formula of 2-(Methylthio)benzeneboronic acid is C7H9BO2S.
What is the molecular weight of 2-(Methylthio)benzeneboronic acid?
The molecular weight of 2-(Methylthio)benzeneboronic acid is 168.04 g/mol.
Where can I buy 2-(Methylthio)benzeneboronic acid?
You can request a quote for 2-(Methylthio)benzeneboronic 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)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.