1-(5-Methyl-2-methylsulfinylphenyl)ethanone
TL;DR: 1-(5-Methyl-2-methylsulfinylphenyl)ethanone (CAS 34617-87-3) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-2-methylsulfinylphenyl)ethanone
Also Known As: 1-(5-methyl-2-methylsulfinylphenyl)ethanone, 1-(5-Methyl-2-(methylsulfinyl)phenyl)ethanone, 1-[5-methyl-2-(methylsulfinyl)phenyl]ethanone, 1-(2-methanesulfinyl-5-methylphenyl)ethan-1-one, 1-[2-(Methanesulfinyl)-5-methylphenyl]ethan-1-one
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 34617-87-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)C)C(=O)C |
| InChIKey | HRAWKZRPJBYTSP-UHFFFAOYSA-N |
Product Overview
1-(5-Methyl-2-methylsulfinylphenyl)ethanone (CAS 34617-87-3), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 1-(5-methyl-2-methylsulfinylphenyl)ethanone.
Chemical Property Profile of 1-(5-Methyl-2-methylsulfinylphenyl)ethanone
Property Insights of 1-(5-Methyl-2-methylsulfinylphenyl)ethanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methyl-2-methylsulfinylphenyl)ethanone. With a topological polar surface area (TPSA) of 53.4 Ų, 1-(5-Methyl-2-methylsulfinylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Methyl-2-methylsulfinylphenyl)ethanone has 0 hydrogen bond donor(s) and 3 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-(5-Methyl-2-methylsulfinylphenyl)ethanone?
The CAS number of 1-(5-Methyl-2-methylsulfinylphenyl)ethanone is 34617-87-3.
What is the molecular formula of 1-(5-Methyl-2-methylsulfinylphenyl)ethanone?
The molecular formula of 1-(5-Methyl-2-methylsulfinylphenyl)ethanone is C10H12O2S.
What is the molecular weight of 1-(5-Methyl-2-methylsulfinylphenyl)ethanone?
The molecular weight of 1-(5-Methyl-2-methylsulfinylphenyl)ethanone is 196.06 g/mol.
Where can I buy 1-(5-Methyl-2-methylsulfinylphenyl)ethanone?
You can request a quote for 1-(5-Methyl-2-methylsulfinylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methyl-2-methylsulfinylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methyl-2-methylsulfinylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.