S-(2-Formylisopropyl)thioacetate
TL;DR: S-(2-Formylisopropyl)thioacetate (CAS 54278-24-9) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-oxobutan-2-yl) ethanethioate
Also Known As: 3-(acetylthio)butanal, 3-(acetylsulfanyl)butanal, 3-Acetylthiobutyraldehyde, S-(2-Formylisopropyl)thioacetate, S-(4-oxobutan-2-yl) ethanethioate
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 54278-24-9 |
|---|---|
| SMILES | CC(CC=O)SC(=O)C |
| InChIKey | YNAWIDNWSONFPV-UHFFFAOYSA-N |
Product Overview
S-(2-Formylisopropyl)thioacetate (CAS 54278-24-9), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: S-(4-oxobutan-2-yl) ethanethioate.
Chemical Property Profile of S-(2-Formylisopropyl)thioacetate
Property Insights of S-(2-Formylisopropyl)thioacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Formylisopropyl)thioacetate. With a topological polar surface area (TPSA) of 59.4 Ų, S-(2-Formylisopropyl)thioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-Formylisopropyl)thioacetate 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-(2-Formylisopropyl)thioacetate?
The CAS number of S-(2-Formylisopropyl)thioacetate is 54278-24-9.
What is the molecular formula of S-(2-Formylisopropyl)thioacetate?
The molecular formula of S-(2-Formylisopropyl)thioacetate is C6H10O2S.
What is the molecular weight of S-(2-Formylisopropyl)thioacetate?
The molecular weight of S-(2-Formylisopropyl)thioacetate is 146.04 g/mol.
Where can I buy S-(2-Formylisopropyl)thioacetate?
You can request a quote for S-(2-Formylisopropyl)thioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Formylisopropyl)thioacetate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Formylisopropyl)thioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.