Ethynyl t-butyl sulfoxide
TL;DR: Ethynyl t-butyl sulfoxide (CAS 41463-34-7) is a chemical compound with molecular formula C6H10OS and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynylsulfinyl-2-methylpropane
Also Known As: Ethynyl t-butyl sulfoxide, t-butylethynyl-sulfoxide, tert-butyl ethynyl sulfoxide, Ethynyl tert-butyl sulfoxide, 2-ethynylsulfinyl-2-methylpropane
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 41463-34-7 |
|---|---|
| SMILES | CC(C)(C)S(=O)C#C |
| InChIKey | UGEAWTADJZJZEN-UHFFFAOYSA-N |
Product Overview
Ethynyl t-butyl sulfoxide (CAS 41463-34-7), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: 2-ethynylsulfinyl-2-methylpropane.
Chemical Property Profile of Ethynyl t-butyl sulfoxide
Property Insights of Ethynyl t-butyl sulfoxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethynyl t-butyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, Ethynyl t-butyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynyl t-butyl 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
Frequently Asked Questions
What is the CAS number of Ethynyl t-butyl sulfoxide?
The CAS number of Ethynyl t-butyl sulfoxide is 41463-34-7.
What is the molecular formula of Ethynyl t-butyl sulfoxide?
The molecular formula of Ethynyl t-butyl sulfoxide is C6H10OS.
What is the molecular weight of Ethynyl t-butyl sulfoxide?
The molecular weight of Ethynyl t-butyl sulfoxide is 130.05 g/mol.
Where can I buy Ethynyl t-butyl sulfoxide?
You can request a quote for Ethynyl t-butyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynyl t-butyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Ethynyl t-butyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.