Sulfoxide
TL;DR: Sulfoxide (CAS 120-62-7) is a chemical compound with molecular formula C18H28O3S and molecular weight 324.1759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-octylsulfinylpropyl)-1,3-benzodioxole
Also Known As: Sulfoxide, Sulphoxide, Sulfox-cide, PIPERONYL SULFOXIDE, Sulfoxyl
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H28O3S |
| Molecular Weight | 324.1759 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 324.1759 Da |
| Heavy Atoms | 22 |
| Complexity | 334.0 |
| Density | 1.06 to 1.09 at 77 °F (NTP, 1992) |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Vapor Pressure | 0.00000007 [mmHg] |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2 |
| InChIKey | ATTZFSUZZUNHBP-UHFFFAOYSA-N |
Product Description
Applications: Sulfoxide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Sulfoxide is a heterocyclic building block identified by CAS number 120-62-7 and the molecular formula C18H28O3S and a molecular weight of 324.18 g/mol. Physically, the compound has a density of 1.06 to 1.09 at 77 °F (NTP, 1992) g/cm³, a solubility: less than 0.1 mg/mL at 72 °F (NTP, 1992). Synonyms include Sulfoxide and Sulphoxide.
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 Sulfoxide
Property Insights of Sulfoxide
The XLogP value of 4.8 indicates that Sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, Sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfoxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sulfoxide?
The CAS number of Sulfoxide is 120-62-7.
What is the molecular formula of Sulfoxide?
The molecular formula of Sulfoxide is C18H28O3S.
What is the molecular weight of Sulfoxide?
The molecular weight of Sulfoxide is 324.1759 g/mol.
What are the applications of Sulfoxide?
Sulfoxide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Sulfoxide?
You can request a quote for Sulfoxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfoxide?
Yes, CoreyChem provides custom synthesis services for Sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.