(S)-3-Methylthiohexyl butyrate
TL;DR: (S)-3-Methylthiohexyl butyrate (CAS 145937-80-0) is a chemical compound with molecular formula C11H22O2S and molecular weight 218.13405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfanylhexyl butanoate
Also Known As: 3-(Methylthio)hexyl butanoate, (S)-3-Methylthiohexyl butyrate, 3-methylsulanylhexyl butanoate, 3-methylsulfanylhexyl butanoate, 3-(methylsulfanyl)hexyl butanoate
Technical Specifications
| Molecular Formula | C11H22O2S |
| Molecular Weight | 218.13405 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 218.13405 Da |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
| SMILES | CCCC(CCOC(=O)CCC)SC |
| InChIKey | CPZRKTMCYSRJPH-UHFFFAOYSA-N |
Chemical Property Profile of (S)-3-Methylthiohexyl butyrate
Property Insights of (S)-3-Methylthiohexyl butyrate
The XLogP value of 3.3 indicates that (S)-3-Methylthiohexyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, (S)-3-Methylthiohexyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-Methylthiohexyl butyrate 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
What is the CAS number of (S)-3-Methylthiohexyl butyrate?
The CAS number of (S)-3-Methylthiohexyl butyrate is 145937-80-0.
What is the molecular formula of (S)-3-Methylthiohexyl butyrate?
The molecular formula of (S)-3-Methylthiohexyl butyrate is C11H22O2S.
What is the molecular weight of (S)-3-Methylthiohexyl butyrate?
The molecular weight of (S)-3-Methylthiohexyl butyrate is 218.13405 g/mol.
Where can I buy (S)-3-Methylthiohexyl butyrate?
You can request a quote for (S)-3-Methylthiohexyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-Methylthiohexyl butyrate?
Yes, CoreyChem provides custom synthesis services for (S)-3-Methylthiohexyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.