Divinyl sulfone
TL;DR: Divinyl sulfone (CAS 77-77-0) is a chemical compound with molecular formula C4H6O2S and molecular weight 118.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenylsulfonylethene
Also Known As: Divinyl sulfone, VINYL SULFONE, Divinyl sulphone, vinyl sulphone, Bis(ethenyl)sulfone
| Molecular Formula | C4H6O2S |
|---|---|
| Molecular Weight | 118.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.00885 |
| Heavy Atoms | 7 |
| Complexity | 145.0 |
| Melting Point | -26.1 °C |
| Boiling Point | 233.9 °C at 760 mmHg |
| Density | 1.1788 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992) |
| Flash Point | 102.8 °C |
| Vapor Pressure | 0.78 [mmHg] |
| Refractive Index | = 1.4765 @ 20 °C |
Chemical Identifiers
| CAS Number | 77-77-0 |
|---|---|
| SMILES | C=CS(=O)(=O)C=C |
| InChIKey | AFOSIXZFDONLBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Divinyl sulfone (CAS 77-77-0), with molecular formula C4H6O2S and molecular weight 118.01 g/mol. IUPAC: 1-ethenylsulfonylethene.
Chemical Property Profile of Divinyl sulfone
Property Insights of Divinyl sulfone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Divinyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Divinyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Divinyl 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 Divinyl sulfone?
The CAS number of Divinyl sulfone is 77-77-0.
What is the molecular formula of Divinyl sulfone?
The molecular formula of Divinyl sulfone is C4H6O2S.
What is the molecular weight of Divinyl sulfone?
The molecular weight of Divinyl sulfone is 118.01 g/mol.
Where can I buy Divinyl sulfone?
You can request a quote for Divinyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Divinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Divinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.