beta-Methylsulfonylstyrene
TL;DR: beta-Methylsulfonylstyrene (CAS 15436-11-0) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylethenylbenzene
Also Known As: Methyl styryl sulfone, Sulfone, methyl styryl, beta-methylsulfonylstyrene, Methyl (E)-styryl sulfone, Methyl trans-styryl sulfone
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 15436-11-0 |
|---|---|
| SMILES | CS(=O)(=O)C=CC1=CC=CC=C1 |
| InChIKey | RJQJJDKSNFBCFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Methylsulfonylstyrene (CAS 15436-11-0), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 2-methylsulfonylethenylbenzene.
Chemical Property Profile of beta-Methylsulfonylstyrene
Property Insights of beta-Methylsulfonylstyrene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Methylsulfonylstyrene. With a topological polar surface area (TPSA) of 42.5 Ų, beta-Methylsulfonylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methylsulfonylstyrene 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 beta-Methylsulfonylstyrene?
The CAS number of beta-Methylsulfonylstyrene is 15436-11-0.
What is the molecular formula of beta-Methylsulfonylstyrene?
The molecular formula of beta-Methylsulfonylstyrene is C9H10O2S.
What is the molecular weight of beta-Methylsulfonylstyrene?
The molecular weight of beta-Methylsulfonylstyrene is 182.04 g/mol.
Where can I buy beta-Methylsulfonylstyrene?
You can request a quote for beta-Methylsulfonylstyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methylsulfonylstyrene?
Yes, KEHONG BIO provides custom synthesis services for beta-Methylsulfonylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.