1-(4-(Methylthio)phenyl)ethan-1-one
TL;DR: 1-(4-(Methylthio)phenyl)ethan-1-one (CAS 1778-09-2) is a chemical compound with molecular formula C9H10OS and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfanylphenyl)ethanone
Also Known As: 4'-(Methylthio)acetophenone, 1-(4-(Methylthio)phenyl)ethanone, 4-(Methylthio)acetophenone, 4'-methylthioacetophenone, null
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.04524 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 1778-09-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)SC |
| InChIKey | JECUZQLBQKNEMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-(Methylthio)phenyl)ethan-1-one (CAS 1778-09-2), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: 1-(4-methylsulfanylphenyl)ethanone.
Chemical Property Profile of 1-(4-(Methylthio)phenyl)ethan-1-one
Property Insights of 1-(4-(Methylthio)phenyl)ethan-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(Methylthio)phenyl)ethan-1-one. With a topological polar surface area (TPSA) of 42.4 Ų, 1-(4-(Methylthio)phenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(Methylthio)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
Frequently Asked Questions
What is the CAS number of 1-(4-(Methylthio)phenyl)ethan-1-one?
The CAS number of 1-(4-(Methylthio)phenyl)ethan-1-one is 1778-09-2.
What is the molecular formula of 1-(4-(Methylthio)phenyl)ethan-1-one?
The molecular formula of 1-(4-(Methylthio)phenyl)ethan-1-one is C9H10OS.
What is the molecular weight of 1-(4-(Methylthio)phenyl)ethan-1-one?
The molecular weight of 1-(4-(Methylthio)phenyl)ethan-1-one is 166.05 g/mol.
Where can I buy 1-(4-(Methylthio)phenyl)ethan-1-one?
You can request a quote for 1-(4-(Methylthio)phenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Methylthio)phenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Methylthio)phenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.