Methyl (1-methylbutyl) sulfide
TL;DR: Methyl (1-methylbutyl) sulfide (CAS 13286-91-4) 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-methylsulfanylpentane
Also Known As: 2-methylsulfanylpentane, 2-(Methylthio)pentane, 2-Methylmercapto-pentan, Methyl (1-methylbutyl) sulfide, 1-Methylbutylmethyl 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 | 3 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 13286-91-4 |
|---|---|
| SMILES | CCCC(C)SC |
| InChIKey | WGBHWWSSUGCSCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (1-methylbutyl) sulfide (CAS 13286-91-4), with molecular formula C6H14S and molecular weight 118.08 g/mol. IUPAC: 2-methylsulfanylpentane.
Chemical Property Profile of Methyl (1-methylbutyl) sulfide
Property Insights of Methyl (1-methylbutyl) sulfide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1-methylbutyl) sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Methyl (1-methylbutyl) sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (1-methylbutyl) sulfide 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 Methyl (1-methylbutyl) sulfide?
The CAS number of Methyl (1-methylbutyl) sulfide is 13286-91-4.
What is the molecular formula of Methyl (1-methylbutyl) sulfide?
The molecular formula of Methyl (1-methylbutyl) sulfide is C6H14S.
What is the molecular weight of Methyl (1-methylbutyl) sulfide?
The molecular weight of Methyl (1-methylbutyl) sulfide is 118.08 g/mol.
Where can I buy Methyl (1-methylbutyl) sulfide?
You can request a quote for Methyl (1-methylbutyl) sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1-methylbutyl) sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1-methylbutyl) sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.