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 168.04163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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
Technical Specifications
| Molecular Formula | C7H9BO2S |
| Molecular Weight | 168.04163 g/mol |
| XLogP | 0.0883 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04163 Da |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
| SMILES | B(C1=CC=C(C=C1)SC)(O)O |
| InChIKey | IVUHTLFKBDDICS-UHFFFAOYSA-N |
Product Description
Applications: 4-(Methylthio)phenylboronic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, 4-(Methylthio)phenylboronic acid (CAS 458-05-9) has the molecular formula C7H9BO2S and a molecular weight of 168.04 g/mol. Synonyms include 4-(Methylthio)phenylboronic acid and 4-Thioanisoleboronic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylthio)phenylboronic acid. 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
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 168.04163 g/mol.
What are the applications of 4-(Methylthio)phenylboronic acid?
4-(Methylthio)phenylboronic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA,...
Where can I buy 4-(Methylthio)phenylboronic acid?
You can request a quote for 4-(Methylthio)phenylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Methylthio)phenylboronic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Methylthio)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.