1-(3-Methyl-4-sulfanylphenyl)ethanone
TL;DR: 1-(3-Methyl-4-sulfanylphenyl)ethanone (CAS 31171-99-0) 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-methyl-4-sulfanylphenyl)ethanone
Also Known As: Acetyl-o-tolyl-disulfid, 1-(3-methyl-4-sulfanylphenyl)ethanone, 1-(3-methyl-4-sulfanyl-phenyl)ethanone
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 2.48632 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.04524 |
| Heavy Atoms | 11 |
| Complexity | 291.61426 |
Chemical Identifiers
| CAS Number | 31171-99-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)C)S |
Product Overview
1-(3-Methyl-4-sulfanylphenyl)ethanone (CAS 31171-99-0), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: 1-(3-methyl-4-sulfanylphenyl)ethanone.
Chemical Property Profile of 1-(3-Methyl-4-sulfanylphenyl)ethanone
Property Insights of 1-(3-Methyl-4-sulfanylphenyl)ethanone
The XLogP value of 2.48632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-4-sulfanylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(3-Methyl-4-sulfanylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methyl-4-sulfanylphenyl)ethanone has 1 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-(3-Methyl-4-sulfanylphenyl)ethanone?
The CAS number of 1-(3-Methyl-4-sulfanylphenyl)ethanone is 31171-99-0.
What is the molecular formula of 1-(3-Methyl-4-sulfanylphenyl)ethanone?
The molecular formula of 1-(3-Methyl-4-sulfanylphenyl)ethanone is C9H10OS.
What is the molecular weight of 1-(3-Methyl-4-sulfanylphenyl)ethanone?
The molecular weight of 1-(3-Methyl-4-sulfanylphenyl)ethanone is 166.05 g/mol.
Where can I buy 1-(3-Methyl-4-sulfanylphenyl)ethanone?
You can request a quote for 1-(3-Methyl-4-sulfanylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-4-sulfanylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-4-sulfanylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.