S-Methyl heptanethioate
TL;DR: S-Methyl heptanethioate (CAS 2432-82-8) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl heptanethioate
Also Known As: S-Methyl heptanethioate, methylheptanethioate, HeptanethioicacidS-methylester, S-Methyl heptanethioate #, Heptanethioic acid S-methyl ester
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2432-82-8 |
|---|---|
| SMILES | CCCCCCC(=O)SC |
| InChIKey | XBNCUVKYQNARCE-UHFFFAOYSA-N |
Product Overview
S-Methyl heptanethioate (CAS 2432-82-8), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: S-methyl heptanethioate.
Chemical Property Profile of S-Methyl heptanethioate
Property Insights of S-Methyl heptanethioate
The XLogP value of 3.1 indicates that S-Methyl heptanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-Methyl heptanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl heptanethioate 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-Methyl heptanethioate?
The CAS number of S-Methyl heptanethioate is 2432-82-8.
What is the molecular formula of S-Methyl heptanethioate?
The molecular formula of S-Methyl heptanethioate is C8H16OS.
What is the molecular weight of S-Methyl heptanethioate?
The molecular weight of S-Methyl heptanethioate is 160.09 g/mol.
Where can I buy S-Methyl heptanethioate?
You can request a quote for S-Methyl heptanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl heptanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl heptanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.