Butyl vinyl sulfone
TL;DR: Butyl vinyl sulfone (CAS 16913-33-0) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenylsulfonylbutane
Also Known As: butyl vinyl sulfone, Butylvinylsulfon, Butylvinyl sulfone, 1-ethenylsulfonylbutane, vinyl butyl sulfone
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 16913-33-0 |
|---|---|
| SMILES | CCCCS(=O)(=O)C=C |
| InChIKey | ZPQFAVDVWVKUOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl vinyl sulfone (CAS 16913-33-0), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: 1-ethenylsulfonylbutane.
Chemical Property Profile of Butyl vinyl sulfone
Property Insights of Butyl vinyl sulfone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl vinyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Butyl vinyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl vinyl sulfone?
The CAS number of Butyl vinyl sulfone is 16913-33-0.
What is the molecular formula of Butyl vinyl sulfone?
The molecular formula of Butyl vinyl sulfone is C6H12O2S.
What is the molecular weight of Butyl vinyl sulfone?
The molecular weight of Butyl vinyl sulfone is 148.06 g/mol.
Where can I buy Butyl vinyl sulfone?
You can request a quote for Butyl vinyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl vinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Butyl vinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.