Isobutyl sulfoxide
TL;DR: Isobutyl sulfoxide (CAS 3085-40-3) is a chemical compound with molecular formula C8H18OS and molecular weight 162.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(2-methylpropylsulfinyl)propane
Also Known As: Diisobutyl sulfoxide, Diisobutyl sulfoxid, ISOBUTYL SULFOXIDE, diisobutylsulfoxid, Diisobutyl sulfoxid [German]
| Molecular Formula | C8H18OS |
|---|---|
| Molecular Weight | 162.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.10783 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 3085-40-3 |
|---|---|
| SMILES | CC(C)CS(=O)CC(C)C |
| InChIKey | MCDJZKPTBCWNSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl sulfoxide (CAS 3085-40-3), with molecular formula C8H18OS and molecular weight 162.11 g/mol. IUPAC: 2-methyl-1-(2-methylpropylsulfinyl)propane.
Chemical Property Profile of Isobutyl sulfoxide
Property Insights of Isobutyl sulfoxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, Isobutyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl sulfoxide?
The CAS number of Isobutyl sulfoxide is 3085-40-3.
What is the molecular formula of Isobutyl sulfoxide?
The molecular formula of Isobutyl sulfoxide is C8H18OS.
What is the molecular weight of Isobutyl sulfoxide?
The molecular weight of Isobutyl sulfoxide is 162.11 g/mol.
Where can I buy Isobutyl sulfoxide?
You can request a quote for Isobutyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.