环乙烯砜
TL;DR: 环乙烯砜 (CAS 77-79-2) 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.
环乙烯砜
2,5-dihydrothiophene 1,1-dioxide
Also Known As: 3-Sulfolene, Sulfolene, Butadiene sulfone, 2,5-DIHYDROTHIOPHENE 1,1-DIOXIDE, beta-Sulfolene
| Molecular Formula | C4H6O2S |
|---|---|
| Molecular Weight | 118.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.00885 |
| Heavy Atoms | 7 |
| Complexity | 156.0 |
| Melting Point | 147 to 65.0 °C |
| Boiling Point | Decomposes |
| Density | 1.3 at 15.0 °C |
| Solubility | 50 to 100 mg/mL at 61 °F (NTP, 1992) |
| Flash Point | 112.8 °C |
| Vapor Pressure | 0.34 [mmHg] |
Chemical Identifiers
| CAS Number | 77-79-2 |
|---|---|
| SMILES | C1C=CCS1(=O)=O |
| InChIKey | MBDNRNMVTZADMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环乙烯砜 (CAS 77-79-2), with molecular formula C4H6O2S and molecular weight 118.01 g/mol. IUPAC: 2,5-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 环乙烯砜
Property Insights of 环乙烯砜
The XLogP value of -0.2 indicates that 环乙烯砜 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.5 Ų, 环乙烯砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环乙烯砜 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 环乙烯砜?
The CAS number of 环乙烯砜 is 77-79-2.
What is the molecular formula of 环乙烯砜?
The molecular formula of 环乙烯砜 is C4H6O2S.
What is the molecular weight of 环乙烯砜?
The molecular weight of 环乙烯砜 is 118.01 g/mol.
Where can I buy 环乙烯砜?
You can request a quote for 环乙烯砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环乙烯砜?
Yes, KEHONG BIO provides custom synthesis services for 环乙烯砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.