2-Benzylsulfanyl-1-(4-methylphenyl)ethanone
TL;DR: 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone (CAS 52264-86-5) is a chemical compound with molecular formula C16H16OS and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1-(4-methylphenyl)ethanone
Also Known As: 2-benzylsulfanyl-1-(4-methylphenyl)ethanone, 2-(benzylsulfanyl)-1-(4-methylphenyl)ethanone, AA-516/12432453
| Molecular Formula | C16H16OS |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 4.11112 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0922 |
| Heavy Atoms | 18 |
| Complexity | 502.37997 |
Chemical Identifiers
| CAS Number | 52264-86-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSCC2=CC=CC=C2 |
Product Overview
2-Benzylsulfanyl-1-(4-methylphenyl)ethanone (CAS 52264-86-5), with molecular formula C16H16OS and molecular weight 256.09 g/mol. IUPAC: 2-benzylsulfanyl-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone
Property Insights of 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone
The XLogP value of 4.11112 indicates that 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone 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 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone?
The CAS number of 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone is 52264-86-5.
What is the molecular formula of 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone?
The molecular formula of 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone is C16H16OS.
What is the molecular weight of 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone?
The molecular weight of 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone is 256.09 g/mol.
Where can I buy 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone?
You can request a quote for 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylsulfanyl-1-(4-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.