P-Tolyl vinyl sulfone
TL;DR: P-Tolyl vinyl sulfone (CAS 5535-52-4) 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.
1-ethenylsulfonyl-4-methylbenzene
Also Known As: p-Tosylethylene, p-Tolyl vinyl sulfone, Tosylethene, p-Tolyl vinyl sulphone, Sulfone, p-tolyl vinyl
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.7 |
| 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 | 5535-52-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C=C |
| InChIKey | VZQFRPMWVXCURA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
P-Tolyl vinyl sulfone (CAS 5535-52-4), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 1-ethenylsulfonyl-4-methylbenzene.
Chemical Property Profile of P-Tolyl vinyl sulfone
Property Insights of P-Tolyl vinyl sulfone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P-Tolyl vinyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, P-Tolyl vinyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, P-Tolyl vinyl sulfone 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 P-Tolyl vinyl sulfone?
The CAS number of P-Tolyl vinyl sulfone is 5535-52-4.
What is the molecular formula of P-Tolyl vinyl sulfone?
The molecular formula of P-Tolyl vinyl sulfone is C9H10O2S.
What is the molecular weight of P-Tolyl vinyl sulfone?
The molecular weight of P-Tolyl vinyl sulfone is 182.04 g/mol.
Where can I buy P-Tolyl vinyl sulfone?
You can request a quote for P-Tolyl vinyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-Tolyl vinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for P-Tolyl vinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.