o-Methyl pentanethioate
TL;DR: o-Methyl pentanethioate (CAS 55283-58-4) 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.
O-methyl pentanethioate
Also Known As: o-Methyl pentanethioate, o-Methyl pentanethioate #, PentanethioicacidO-methylester, Pentanethioic acid, O-methyl ester, methyl 4-methylthiobutyrate
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 41.3 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 | 55283-58-4 |
|---|---|
| SMILES | CCCCC(=S)OC |
| InChIKey | PSLJJIWWAUDWTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Methyl pentanethioate (CAS 55283-58-4), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: O-methyl pentanethioate.
Chemical Property Profile of o-Methyl pentanethioate
Property Insights of o-Methyl pentanethioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Methyl pentanethioate. With a topological polar surface area (TPSA) of 41.3 Ų, o-Methyl pentanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-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 o-Methyl pentanethioate?
The CAS number of o-Methyl pentanethioate is 55283-58-4.
What is the molecular formula of o-Methyl pentanethioate?
The molecular formula of o-Methyl pentanethioate is C6H12OS.
What is the molecular weight of o-Methyl pentanethioate?
The molecular weight of o-Methyl pentanethioate is 132.06 g/mol.
Where can I buy o-Methyl pentanethioate?
You can request a quote for o-Methyl pentanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Methyl pentanethioate?
Yes, KEHONG BIO provides custom synthesis services for o-Methyl pentanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.