S-Methyl pentanethioate
TL;DR: S-Methyl pentanethioate (CAS 42075-43-4) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl pentanethioate
Also Known As: S-Methyl pentanethioate, S-methyl pentane thioate, Pentanethioic acid S-methyl ester, Pentanethioic acid,S-methyl ester, Pentanethioic acid, S-methyl ester
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 42075-43-4 |
|---|---|
| SMILES | CCCCC(=O)SC |
| InChIKey | MWHCJABIXNVCHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Methyl pentanethioate (CAS 42075-43-4), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: S-methyl pentanethioate.
Chemical Property Profile of S-Methyl pentanethioate
Property Insights of S-Methyl pentanethioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl pentanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Methyl pentanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl pentanethioate 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 pentanethioate?
The CAS number of S-Methyl pentanethioate is 42075-43-4.
What is the molecular formula of S-Methyl pentanethioate?
The molecular formula of S-Methyl pentanethioate is C6H12OS.
What is the molecular weight of S-Methyl pentanethioate?
The molecular weight of S-Methyl pentanethioate is 132.06 g/mol.
Where can I buy S-Methyl pentanethioate?
You can request a quote for S-Methyl pentanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl pentanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl pentanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.