2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one
TL;DR: 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one (CAS 109607-24-1) is a chemical compound with molecular formula C9H9ClOS and molecular weight 200.00627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-(4-methylsulfanylphenyl)ethanone
Also Known As: 2-chloro-1-[4-(methylsulfanyl)phenyl]ethan-1-one, 2-chloro-1-[4-(methylthio)phenyl]ethanone, 2-chloro-1-(4-methylsulfanylphenyl)ethanone, Ethanone, 2-chloro-1-[4-(methylthio)phenyl]-, 2-Chloro-1-(4-(methylthio)phenyl)ethanone
Technical Specifications
| Molecular Formula | C9H9ClOS |
| Molecular Weight | 200.00627 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.00627 Da |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
| SMILES | CSC1=CC=C(C=C1)C(=O)CCl |
| InChIKey | PUPBKNOXYVMRCH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one
Property Insights of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one 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
What is the CAS number of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one?
The CAS number of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one is 109607-24-1.
What is the molecular formula of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one?
The molecular formula of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one is C9H9ClOS.
What is the molecular weight of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one?
The molecular weight of 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one is 200.00627 g/mol.
Where can I buy 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one?
You can request a quote for 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-1-(4-(methylsulfanyl)phenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.