Butane, 1-(methylsulfinyl)-
TL;DR: Butane, 1-(methylsulfinyl)- (CAS 2976-98-9) 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.
1-methylsulfinylbutane
Also Known As: Butane, 1-(methylsulfinyl)-, 1-methylsulfinylbutane, Butyl methyl sulfoxide, butylmethylsulfoxide, Sulfoxide, butyl methyl
| Molecular Formula | C5H12OS |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.06088 |
| Heavy Atoms | 7 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 2976-98-9 |
|---|---|
| SMILES | CCCCS(=O)C |
| InChIKey | QPKGDTBMWSPKDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 1-(methylsulfinyl)- (CAS 2976-98-9), with molecular formula C5H12OS and molecular weight 120.06 g/mol. IUPAC: 1-methylsulfinylbutane.
Chemical Property Profile of Butane, 1-(methylsulfinyl)-
Property Insights of Butane, 1-(methylsulfinyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 1-(methylsulfinyl)-. With a topological polar surface area (TPSA) of 36.3 Ų, Butane, 1-(methylsulfinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1-(methylsulfinyl)- 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 Butane, 1-(methylsulfinyl)-?
The CAS number of Butane, 1-(methylsulfinyl)- is 2976-98-9.
What is the molecular formula of Butane, 1-(methylsulfinyl)-?
The molecular formula of Butane, 1-(methylsulfinyl)- is C5H12OS.
What is the molecular weight of Butane, 1-(methylsulfinyl)-?
The molecular weight of Butane, 1-(methylsulfinyl)- is 120.06 g/mol.
Where can I buy Butane, 1-(methylsulfinyl)-?
You can request a quote for Butane, 1-(methylsulfinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 1-(methylsulfinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1-(methylsulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.