4-(Methylthio)phenylboronic acid
TL;DR: 4-(Methylthio)phenylboronic acid (CAS 458-05-9) 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.
(4-methylsulfanylphenyl)boronic acid
Also Known As: 4-(Methylthio)phenylboronic acid, 4-Thioanisoleboronic acid, (4-methylsulfanylphenyl)boronic Acid, 4-methylthiophenylboronic acid, 4-(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 | 222.38712 |
Chemical Identifiers
| CAS Number | 458-05-9 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)SC)(O)O |
Product Overview
4-(Methylthio)phenylboronic acid (CAS 458-05-9), with molecular formula C7H9BO2S and molecular weight 168.04 g/mol. IUPAC: (4-methylsulfanylphenyl)boronic acid.
Chemical Property Profile of 4-(Methylthio)phenylboronic acid
Property Insights of 4-(Methylthio)phenylboronic acid
The XLogP value of 0.0883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)phenylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 4-(Methylthio)phenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)phenylboronic 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 4-(Methylthio)phenylboronic acid?
The CAS number of 4-(Methylthio)phenylboronic acid is 458-05-9.
What is the molecular formula of 4-(Methylthio)phenylboronic acid?
The molecular formula of 4-(Methylthio)phenylboronic acid is C7H9BO2S.
What is the molecular weight of 4-(Methylthio)phenylboronic acid?
The molecular weight of 4-(Methylthio)phenylboronic acid is 168.04 g/mol.
Where can I buy 4-(Methylthio)phenylboronic acid?
You can request a quote for 4-(Methylthio)phenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)phenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.