1-(3-Chloro-4-(methylthio)phenyl)ethanone
TL;DR: 1-(3-Chloro-4-(methylthio)phenyl)ethanone (CAS 32467-66-6) is a chemical compound with molecular formula C9H9ClOS and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylsulfanylphenyl)ethanone
Also Known As: 1-(3-chloro-4-(methylthio)phenyl)ethanone, 3-Cl-4-CH3S-C6H3-COCH3, 1-(3-chloro-4-methylsulfanylphenyl)ethanone, 3 -Chloro-4 -(methylthio)acetophenone, 1-[3-chloro-4-(methylsulfanyl)phenyl]ethan-1-one
| Molecular Formula | C9H9ClOS |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 3.2645 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.00627 |
| Heavy Atoms | 12 |
| Complexity | 309.39688 |
Chemical Identifiers
| CAS Number | 32467-66-6 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)SC)Cl |
Product Overview
1-(3-Chloro-4-(methylthio)phenyl)ethanone (CAS 32467-66-6), with molecular formula C9H9ClOS and molecular weight 200.01 g/mol. IUPAC: 1-(3-chloro-4-methylsulfanylphenyl)ethanone.
Chemical Property Profile of 1-(3-Chloro-4-(methylthio)phenyl)ethanone
Property Insights of 1-(3-Chloro-4-(methylthio)phenyl)ethanone
The XLogP value of 3.2645 indicates that 1-(3-Chloro-4-(methylthio)phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(3-Chloro-4-(methylthio)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-(methylthio)phenyl)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 1-(3-Chloro-4-(methylthio)phenyl)ethanone?
The CAS number of 1-(3-Chloro-4-(methylthio)phenyl)ethanone is 32467-66-6.
What is the molecular formula of 1-(3-Chloro-4-(methylthio)phenyl)ethanone?
The molecular formula of 1-(3-Chloro-4-(methylthio)phenyl)ethanone is C9H9ClOS.
What is the molecular weight of 1-(3-Chloro-4-(methylthio)phenyl)ethanone?
The molecular weight of 1-(3-Chloro-4-(methylthio)phenyl)ethanone is 200.01 g/mol.
Where can I buy 1-(3-Chloro-4-(methylthio)phenyl)ethanone?
You can request a quote for 1-(3-Chloro-4-(methylthio)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-(methylthio)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-(methylthio)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.