S-(3-Oxopropyl) ethanethioate
TL;DR: S-(3-Oxopropyl) ethanethioate (CAS 53943-93-4) is a chemical compound with molecular formula C5H8O2S and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-oxopropyl) ethanethioate
Also Known As: S-(3-Oxopropyl) ethanethioate, Acetyl 2-formylethyl sulfide, S-(3-Oxopropyl) ethanethioate #, 3-(ACETYLSULFANYL)PROPANAL, Ethanethioic acid, S-(3-oxopropyl) ester
| Molecular Formula | C5H8O2S |
|---|---|
| Molecular Weight | 132.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.0245 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 53943-93-4 |
|---|---|
| SMILES | CC(=O)SCCC=O |
| InChIKey | LLGHPZSANAZMFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(3-Oxopropyl) ethanethioate (CAS 53943-93-4), with molecular formula C5H8O2S and molecular weight 132.02 g/mol. IUPAC: S-(3-oxopropyl) ethanethioate.
Chemical Property Profile of S-(3-Oxopropyl) ethanethioate
Property Insights of S-(3-Oxopropyl) ethanethioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3-Oxopropyl) ethanethioate. With a topological polar surface area (TPSA) of 59.4 Ų, S-(3-Oxopropyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(3-Oxopropyl) ethanethioate has 0 hydrogen bond donor(s) and 3 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-(3-Oxopropyl) ethanethioate?
The CAS number of S-(3-Oxopropyl) ethanethioate is 53943-93-4.
What is the molecular formula of S-(3-Oxopropyl) ethanethioate?
The molecular formula of S-(3-Oxopropyl) ethanethioate is C5H8O2S.
What is the molecular weight of S-(3-Oxopropyl) ethanethioate?
The molecular weight of S-(3-Oxopropyl) ethanethioate is 132.02 g/mol.
Where can I buy S-(3-Oxopropyl) ethanethioate?
You can request a quote for S-(3-Oxopropyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-Oxopropyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3-Oxopropyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.