tert-Butyl methyl sulfoxide
TL;DR: tert-Butyl methyl sulfoxide (CAS 40806-56-2) is a chemical compound with molecular formula C5H12OS and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-methylsulfinylpropane
Also Known As: tert-Butyl methyl sulfoxide, tert-Butylmethylsulfoxide, Methyl tert-butyl sulfoxide, tert-Butyl methyl sulphoxide, 2-Methyl-2-(methylsulfinyl)propane
| Molecular Formula | C5H12OS |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.06088 |
| Heavy Atoms | 7 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 40806-56-2 |
|---|---|
| SMILES | CC(C)(C)S(=O)C |
| InChIKey | YPRPSRLQZMDWFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl methyl sulfoxide (CAS 40806-56-2), with molecular formula C5H12OS and molecular weight 120.06 g/mol. IUPAC: 2-methyl-2-methylsulfinylpropane.
Chemical Property Profile of tert-Butyl methyl sulfoxide
Property Insights of tert-Butyl methyl sulfoxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl methyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, tert-Butyl methyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 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
Frequently Asked Questions
What is the CAS number of tert-Butyl methyl sulfoxide?
The CAS number of tert-Butyl methyl sulfoxide is 40806-56-2.
What is the molecular formula of tert-Butyl methyl sulfoxide?
The molecular formula of tert-Butyl methyl sulfoxide is C5H12OS.
What is the molecular weight of tert-Butyl methyl sulfoxide?
The molecular weight of tert-Butyl methyl sulfoxide is 120.06 g/mol.
Where can I buy tert-Butyl methyl sulfoxide?
You can request a quote for tert-Butyl methyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl methyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl methyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.