3-Buten-1-yl methyl sulfoxide
TL;DR: 3-Buten-1-yl methyl sulfoxide (CAS 121564-26-9) is a chemical compound with molecular formula C5H10OS and molecular weight 118.045235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylsulfinylbut-1-ene
Also Known As: 4-methylsulfinylbut-1-ene, 3-Butenyl methyl sulfoxide, methyl 3-buten-1-yl sulfoxide, 3-Butenyl methyl sulfoxide #, 3-Buten-1-yl methyl sulfoxide
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10OS |
| Molecular Weight | 118.045235 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.045235 Da |
| Heavy Atoms | 7 |
| Complexity | 78.0 |
| SMILES | CS(=O)CCC=C |
| InChIKey | KZUNLLRYTCCEQB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Buten-1-yl methyl sulfoxide
Property Insights of 3-Buten-1-yl methyl sulfoxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-1-yl methyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, 3-Buten-1-yl methyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-1-yl methyl sulfoxide 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-Buten-1-yl methyl sulfoxide?
The CAS number of 3-Buten-1-yl methyl sulfoxide is 121564-26-9.
What is the molecular formula of 3-Buten-1-yl methyl sulfoxide?
The molecular formula of 3-Buten-1-yl methyl sulfoxide is C5H10OS.
What is the molecular weight of 3-Buten-1-yl methyl sulfoxide?
The molecular weight of 3-Buten-1-yl methyl sulfoxide is 118.045235 g/mol.
Where can I buy 3-Buten-1-yl methyl sulfoxide?
You can request a quote for 3-Buten-1-yl methyl sulfoxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-1-yl methyl sulfoxide?
Yes, CoreyChem provides custom synthesis services for 3-Buten-1-yl methyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.