2-Bromo-1-(4-methylsulfanylphenyl)ethanone
TL;DR: 2-Bromo-1-(4-methylsulfanylphenyl)ethanone (CAS 42445-46-5) is a chemical compound with molecular formula C9H9BrOS and molecular weight 243.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-methylsulfanylphenyl)ethanone
Also Known As: 4-(Methylthio)phenacyl bromide, 2-bromo-1-(4-methylsulfanylphenyl)ethanone, 2-bromo-1-(4-(methylthio)phenyl)ethanone, 4-Methylthio-alpha-bromoacetophenone, 4-(Bromoacetyl)thioanisole
| Molecular Formula | C9H9BrOS |
|---|---|
| Molecular Weight | 243.96 g/mol |
| LogP | 2.9861 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.95575 |
| Heavy Atoms | 12 |
| Complexity | 268.36197 |
Chemical Identifiers
| CAS Number | 42445-46-5 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)CBr |
Product Overview
2-Bromo-1-(4-methylsulfanylphenyl)ethanone (CAS 42445-46-5), with molecular formula C9H9BrOS and molecular weight 243.96 g/mol. IUPAC: 2-bromo-1-(4-methylsulfanylphenyl)ethanone.
Chemical Property Profile of 2-Bromo-1-(4-methylsulfanylphenyl)ethanone
Property Insights of 2-Bromo-1-(4-methylsulfanylphenyl)ethanone
The XLogP value of 2.9861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(4-methylsulfanylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Bromo-1-(4-methylsulfanylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(4-methylsulfanylphenyl)ethanone has 0 hydrogen bond donor(s) and 2 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-Bromo-1-(4-methylsulfanylphenyl)ethanone?
The CAS number of 2-Bromo-1-(4-methylsulfanylphenyl)ethanone is 42445-46-5.
What is the molecular formula of 2-Bromo-1-(4-methylsulfanylphenyl)ethanone?
The molecular formula of 2-Bromo-1-(4-methylsulfanylphenyl)ethanone is C9H9BrOS.
What is the molecular weight of 2-Bromo-1-(4-methylsulfanylphenyl)ethanone?
The molecular weight of 2-Bromo-1-(4-methylsulfanylphenyl)ethanone is 243.96 g/mol.
Where can I buy 2-Bromo-1-(4-methylsulfanylphenyl)ethanone?
You can request a quote for 2-Bromo-1-(4-methylsulfanylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(4-methylsulfanylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(4-methylsulfanylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.