3-Sulfolene
TL;DR: 3-Sulfolene (CAS 77-79-2) is a chemical compound with molecular formula C4H6O2S and molecular weight 118.00885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dihydrothiophene 1,1-dioxide
Also Known As: 3-Sulfolene, Sulfolene, Butadiene sulfone, 2,5-DIHYDROTHIOPHENE 1,1-DIOXIDE, beta-Sulfolene
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O2S |
| Molecular Weight | 118.00885 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.00885 Da |
| Heavy Atoms | 7 |
| Complexity | 156.0 |
| Melting Point | 147 to 149 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Density | 1.3 at 59 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 235 °F (NTP, 1992) |
| Vapor Pressure | 0.34 [mmHg] |
| Solubility | 50 to 100 mg/mL at 61 °F (NTP, 1992) |
| SMILES | C1C=CCS1(=O)=O |
| InChIKey | MBDNRNMVTZADMQ-UHFFFAOYSA-N |
Product Description
Applications: 3-Sulfolene is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Sulfolene (CAS 77-79-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Sulfolene is a polymer intermediate identified by CAS number 77-79-2 and the molecular formula C4H6O2S and a molecular weight of 118.01 g/mol. Physically, the compound has a density of 1.3 at 59 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: 50 to 100 mg/mL at 61 °F (NTP, 1992). It is also known as 3-Sulfolene and Sulfolene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Sulfolene
Property Insights of 3-Sulfolene
The XLogP value of -0.2 indicates that 3-Sulfolene 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, 3-Sulfolene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Sulfolene 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
What is the CAS number of 3-Sulfolene?
The CAS number of 3-Sulfolene is 77-79-2.
What is the molecular formula of 3-Sulfolene?
The molecular formula of 3-Sulfolene is C4H6O2S.
What is the molecular weight of 3-Sulfolene?
The molecular weight of 3-Sulfolene is 118.00885 g/mol.
What are the applications of 3-Sulfolene?
3-Sulfolene is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Sulfolene (CAS 77-79-2) with custom synthesis available from...
Where can I buy 3-Sulfolene?
You can request a quote for 3-Sulfolene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Sulfolene?
Yes, CoreyChem provides custom synthesis services for 3-Sulfolene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.