![1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one structure](/static/products/1964/1964-27-8.webp)
1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one
TL;DR: 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one (CAS 1964-27-8) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-2-methylsulfanylphenyl)ethanone
Also Known As: 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one, starbld0045912, 1-(5-methyl-2-methylsulfanylphenyl)ethanone, 1-(5-methyl-2-(methylthio)phenyl)ethanone, 1-(5-Methyl-2-(methylthio)phenyl)ethan-1-one
| Molecular Formula | C10H12OS |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.06088 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 1964-27-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SC)C(=O)C |
| InChIKey | RXKKXLMQEKQPNB-UHFFFAOYSA-N |
Product Overview
1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one (CAS 1964-27-8), with molecular formula C10H12OS and molecular weight 180.06 g/mol. IUPAC: 1-(5-methyl-2-methylsulfanylphenyl)ethanone.
Chemical Property Profile of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one
Property Insights of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one. With a topological polar surface area (TPSA) of 42.4 Ų, 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-Methyl-2-(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
Frequently Asked Questions
What is the CAS number of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one?
The CAS number of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one is 1964-27-8.
What is the molecular formula of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one?
The molecular formula of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one is C10H12OS.
What is the molecular weight of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one?
The molecular weight of 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one is 180.06 g/mol.
Where can I buy 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one?
You can request a quote for 1-[5-Methyl-2-(methylsulfanyl)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-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.