S-methylthiodecanoate
TL;DR: S-methylthiodecanoate (CAS 1680-29-1) is a chemical compound with molecular formula C11H22OS and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl decanethioate
Also Known As: S-methylthiodecanoate, S-methyl decanethioate, Methylthioldecanoat, Decanethioic acid S-methyl ester, Decanethioic acid, S-methyl ester
| Molecular Formula | C11H22OS |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 4.0167 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.13913 |
| Heavy Atoms | 13 |
| Complexity | 123.25869 |
Chemical Identifiers
| CAS Number | 1680-29-1 |
|---|---|
| SMILES | CCCCCCCCCC(=O)SC |
Product Overview
S-methylthiodecanoate (CAS 1680-29-1), with molecular formula C11H22OS and molecular weight 202.14 g/mol. IUPAC: S-methyl decanethioate.
Chemical Property Profile of S-methylthiodecanoate
Property Insights of S-methylthiodecanoate
The XLogP value of 4.0167 indicates that S-methylthiodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-methylthiodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methylthiodecanoate 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
Frequently Asked Questions
What is the CAS number of S-methylthiodecanoate?
The CAS number of S-methylthiodecanoate is 1680-29-1.
What is the molecular formula of S-methylthiodecanoate?
The molecular formula of S-methylthiodecanoate is C11H22OS.
What is the molecular weight of S-methylthiodecanoate?
The molecular weight of S-methylthiodecanoate is 202.14 g/mol.
Where can I buy S-methylthiodecanoate?
You can request a quote for S-methylthiodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methylthiodecanoate?
Yes, KEHONG BIO provides custom synthesis services for S-methylthiodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.