Pentanethioic acid, S-ethyl ester
TL;DR: Pentanethioic acid, S-ethyl ester (CAS 2432-92-0) is a chemical compound with molecular formula C7H14OS and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl pentanethioate
Also Known As: S-Ethyl pentanethioate, Pentanethioic acid, S-ethyl ester, S-Ethyl pentanethioate #, Valeric acid, thio-, S-ethyl ester, Thiovaleric acid S-ethyl ester
| Molecular Formula | C7H14OS |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.07654 |
| Heavy Atoms | 9 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 2432-92-0 |
|---|---|
| SMILES | CCCCC(=O)SCC |
| InChIKey | CGRFTVFWSJEHCI-UHFFFAOYSA-N |
Product Overview
Pentanethioic acid, S-ethyl ester (CAS 2432-92-0), with molecular formula C7H14OS and molecular weight 146.08 g/mol. IUPAC: S-ethyl pentanethioate.
Chemical Property Profile of Pentanethioic acid, S-ethyl ester
Property Insights of Pentanethioic acid, S-ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanethioic acid, S-ethyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Pentanethioic acid, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanethioic acid, S-ethyl ester 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 Pentanethioic acid, S-ethyl ester?
The CAS number of Pentanethioic acid, S-ethyl ester is 2432-92-0.
What is the molecular formula of Pentanethioic acid, S-ethyl ester?
The molecular formula of Pentanethioic acid, S-ethyl ester is C7H14OS.
What is the molecular weight of Pentanethioic acid, S-ethyl ester?
The molecular weight of Pentanethioic acid, S-ethyl ester is 146.08 g/mol.
Where can I buy Pentanethioic acid, S-ethyl ester?
You can request a quote for Pentanethioic acid, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanethioic acid, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanethioic acid, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.