Butanethioic acid, S-ethyl ester
TL;DR: Butanethioic acid, S-ethyl ester (CAS 20807-99-2) 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-ethyl butanethioate
Also Known As: ethyl thiobutyrate, Methylestradienedione, S-ethyl butanethioate, Butanethioic acid, S-ethyl ester, 1-(ethylsulfanyl)butan-1-one
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.9 |
| 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 | 20807-99-2 |
|---|---|
| SMILES | CCCC(=O)SCC |
| InChIKey | WLJXESLORBMHBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanethioic acid, S-ethyl ester (CAS 20807-99-2), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: S-ethyl butanethioate.
Chemical Property Profile of Butanethioic acid, S-ethyl ester
Property Insights of Butanethioic acid, S-ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethioic acid, S-ethyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Butanethioic acid, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioic 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 Butanethioic acid, S-ethyl ester?
The CAS number of Butanethioic acid, S-ethyl ester is 20807-99-2.
What is the molecular formula of Butanethioic acid, S-ethyl ester?
The molecular formula of Butanethioic acid, S-ethyl ester is C6H12OS.
What is the molecular weight of Butanethioic acid, S-ethyl ester?
The molecular weight of Butanethioic acid, S-ethyl ester is 132.06 g/mol.
Where can I buy Butanethioic acid, S-ethyl ester?
You can request a quote for Butanethioic 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 Butanethioic acid, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanethioic acid, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.