1-Methylsulfonylsulfanylbutane
TL;DR: 1-Methylsulfonylsulfanylbutane (CAS 52017-46-6) is a chemical compound with molecular formula C5H12O2S2 and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylsulfanylbutane
Also Known As: Butyl Methanethiosulfonate, 1-methylsulfonylsulfanylbutane, ButylMethanethiosulfonate, S-butyl methanesulfonothioate, Methanesulfonothioic Acid S-Butyl Ester
| Molecular Formula | C5H12O2S2 |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 1.4793 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.02788 |
| Heavy Atoms | 9 |
| Complexity | 148.34093 |
Chemical Identifiers
| CAS Number | 52017-46-6 |
|---|---|
| SMILES | CCCCSS(=O)(=O)C |
Product Overview
1-Methylsulfonylsulfanylbutane (CAS 52017-46-6), with molecular formula C5H12O2S2 and molecular weight 168.03 g/mol. IUPAC: 1-methylsulfonylsulfanylbutane.
Chemical Property Profile of 1-Methylsulfonylsulfanylbutane
Property Insights of 1-Methylsulfonylsulfanylbutane
The XLogP value of 1.4793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylsulfonylsulfanylbutane. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Methylsulfonylsulfanylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylsulfonylsulfanylbutane has 0 hydrogen bond donor(s) and 3 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 1-Methylsulfonylsulfanylbutane?
The CAS number of 1-Methylsulfonylsulfanylbutane is 52017-46-6.
What is the molecular formula of 1-Methylsulfonylsulfanylbutane?
The molecular formula of 1-Methylsulfonylsulfanylbutane is C5H12O2S2.
What is the molecular weight of 1-Methylsulfonylsulfanylbutane?
The molecular weight of 1-Methylsulfonylsulfanylbutane is 168.03 g/mol.
Where can I buy 1-Methylsulfonylsulfanylbutane?
You can request a quote for 1-Methylsulfonylsulfanylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylsulfonylsulfanylbutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylsulfonylsulfanylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.