S-Methyl 2-methylbutanethioate
TL;DR: S-Methyl 2-methylbutanethioate (CAS 42075-45-6) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-methyl 2-methylbutanethioate
Also Known As: S-Methyl 2-methylbutanethioate, S-Methylisovalerate, Methylthio 2-methylbutyrate, S-tropical 2-thiobutyrate, S-METHYL 2-METHYLTHIOBUTYRATE
Technical Specifications
| Molecular Formula | C6H12OS |
| Molecular Weight | 132.06088 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.06088 Da |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
| Density | 1.028-1.035 |
| Refractive Index | 1.456-1.462 |
| Solubility | insoluble in water; soluble in fats and alcohols |
| SMILES | CCC(C)C(=O)SC |
| InChIKey | IAMIOPHEADLKFT-UHFFFAOYSA-N |
Chemical Property Profile of S-Methyl 2-methylbutanethioate
Property Insights of S-Methyl 2-methylbutanethioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl 2-methylbutanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Methyl 2-methylbutanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl 2-methylbutanethioate 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
What is the CAS number of S-Methyl 2-methylbutanethioate?
The CAS number of S-Methyl 2-methylbutanethioate is 42075-45-6.
What is the molecular formula of S-Methyl 2-methylbutanethioate?
The molecular formula of S-Methyl 2-methylbutanethioate is C6H12OS.
What is the molecular weight of S-Methyl 2-methylbutanethioate?
The molecular weight of S-Methyl 2-methylbutanethioate is 132.06088 g/mol.
Where can I buy S-Methyl 2-methylbutanethioate?
You can request a quote for S-Methyl 2-methylbutanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Methyl 2-methylbutanethioate?
Yes, CoreyChem provides custom synthesis services for S-Methyl 2-methylbutanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.