3'-(Methylthio)acetophenone
TL;DR: 3'-(Methylthio)acetophenone (CAS 1441-99-2) 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-(3-methylsulfanylphenyl)ethanone
Also Known As: 3'-(Methylthio)acetophenone, 1-(3-(methylthio)phenyl)ethanone, 1-(3-methylsulfanylphenyl)ethanone, Ethanone, 1-[3-(methylthio)phenyl]-, 1-[3-(methylsulfanyl)phenyl]ethan-1-one
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 2.6111 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.04524 |
| Heavy Atoms | 11 |
| Complexity | 268.02017 |
Chemical Identifiers
| CAS Number | 1441-99-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)SC |
Product Overview
3'-(Methylthio)acetophenone (CAS 1441-99-2), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: 1-(3-methylsulfanylphenyl)ethanone.
Chemical Property Profile of 3'-(Methylthio)acetophenone
Property Insights of 3'-(Methylthio)acetophenone
The XLogP value of 2.6111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(Methylthio)acetophenone. With a topological polar surface area (TPSA) of 17.07 Ų, 3'-(Methylthio)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-(Methylthio)acetophenone 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 3'-(Methylthio)acetophenone?
The CAS number of 3'-(Methylthio)acetophenone is 1441-99-2.
What is the molecular formula of 3'-(Methylthio)acetophenone?
The molecular formula of 3'-(Methylthio)acetophenone is C9H10OS.
What is the molecular weight of 3'-(Methylthio)acetophenone?
The molecular weight of 3'-(Methylthio)acetophenone is 166.05 g/mol.
Where can I buy 3'-(Methylthio)acetophenone?
You can request a quote for 3'-(Methylthio)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(Methylthio)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-(Methylthio)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.