1-Butene, 2-methyl-4-(methylthio)-
TL;DR: 1-Butene, 2-methyl-4-(methylthio)- (CAS 5952-75-0) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-methylsulfanylbut-1-ene
Also Known As: delta3-Isopentenyl methyl sulfide, isopentenyl methyl sulfide, 1-Butene, 2-methyl-4-(methylthio)-, delta3-Isopentenylmethylsulfide, 2-methyl-4-(methylsulfanyl)but-1-ene
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.3156 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 57.20036 |
Chemical Identifiers
| CAS Number | 5952-75-0 |
|---|---|
| SMILES | CC(=C)CCSC |
Product Overview
1-Butene, 2-methyl-4-(methylthio)- (CAS 5952-75-0), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 2-methyl-4-methylsulfanylbut-1-ene.
Chemical Property Profile of 1-Butene, 2-methyl-4-(methylthio)-
Property Insights of 1-Butene, 2-methyl-4-(methylthio)-
The XLogP value of 2.3156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butene, 2-methyl-4-(methylthio)-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butene, 2-methyl-4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butene, 2-methyl-4-(methylthio)- has 0 hydrogen bond donor(s) and 1 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-Butene, 2-methyl-4-(methylthio)-?
The CAS number of 1-Butene, 2-methyl-4-(methylthio)- is 5952-75-0.
What is the molecular formula of 1-Butene, 2-methyl-4-(methylthio)-?
The molecular formula of 1-Butene, 2-methyl-4-(methylthio)- is C6H12S.
What is the molecular weight of 1-Butene, 2-methyl-4-(methylthio)-?
The molecular weight of 1-Butene, 2-methyl-4-(methylthio)- is 116.07 g/mol.
Where can I buy 1-Butene, 2-methyl-4-(methylthio)-?
You can request a quote for 1-Butene, 2-methyl-4-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butene, 2-methyl-4-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butene, 2-methyl-4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.