Butane, 2-methyl-3-(methylthio)-
TL;DR: Butane, 2-methyl-3-(methylthio)- (CAS 53897-51-1) is a chemical compound with molecular formula C6H14S and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-methylsulfanylbutane
Also Known As: Butane, 2-methyl-3-(methylthio)-, 2-methyl-3-methylsulfanylbutane, 3,4-dimethyl-2-thiapentane, 2-Methyl-3-(methylsulfanyl)butane, 1,2-Dimethylpropylmethyl sulfide
| Molecular Formula | C6H14S |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 53897-51-1 |
|---|---|
| SMILES | CC(C)C(C)SC |
| InChIKey | AUNQXXJGFDKEMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 2-methyl-3-(methylthio)- (CAS 53897-51-1), with molecular formula C6H14S and molecular weight 118.08 g/mol. IUPAC: 2-methyl-3-methylsulfanylbutane.
Chemical Property Profile of Butane, 2-methyl-3-(methylthio)-
Property Insights of Butane, 2-methyl-3-(methylthio)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 2-methyl-3-(methylthio)-. With a topological polar surface area (TPSA) of 25.3 Ų, Butane, 2-methyl-3-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 2-methyl-3-(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 Butane, 2-methyl-3-(methylthio)-?
The CAS number of Butane, 2-methyl-3-(methylthio)- is 53897-51-1.
What is the molecular formula of Butane, 2-methyl-3-(methylthio)-?
The molecular formula of Butane, 2-methyl-3-(methylthio)- is C6H14S.
What is the molecular weight of Butane, 2-methyl-3-(methylthio)-?
The molecular weight of Butane, 2-methyl-3-(methylthio)- is 118.08 g/mol.
Where can I buy Butane, 2-methyl-3-(methylthio)-?
You can request a quote for Butane, 2-methyl-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 2-methyl-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 2-methyl-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.