Ethyl ((3-oxopropyl)thio)acetate
TL;DR: Ethyl ((3-oxopropyl)thio)acetate (CAS 94088-65-0) is a chemical compound with molecular formula C7H12O3S and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-oxopropylsulfanyl)acetate
Also Known As: Ethyl ((3-oxopropyl)thio)acetate, EINECS 302-066-9, ethyl 2-(3-oxopropylsulfanyl)acetate, Ethyl [(3-oxopropyl)sulfanyl]acetate, ETHYL [(3-OXOPROPYL)THIO]ACETATE
| Molecular Formula | C7H12O3S |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 0.8717 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.05072 |
| Heavy Atoms | 11 |
| Complexity | 124.854095 |
Chemical Identifiers
| CAS Number | 94088-65-0 |
|---|---|
| SMILES | CCOC(=O)CSCCC=O |
Product Overview
Ethyl ((3-oxopropyl)thio)acetate (CAS 94088-65-0), with molecular formula C7H12O3S and molecular weight 176.05 g/mol. IUPAC: ethyl 2-(3-oxopropylsulfanyl)acetate.
Chemical Property Profile of Ethyl ((3-oxopropyl)thio)acetate
Property Insights of Ethyl ((3-oxopropyl)thio)acetate
The XLogP value of 0.8717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ((3-oxopropyl)thio)acetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl ((3-oxopropyl)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl ((3-oxopropyl)thio)acetate has 0 hydrogen bond donor(s) and 4 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 Ethyl ((3-oxopropyl)thio)acetate?
The CAS number of Ethyl ((3-oxopropyl)thio)acetate is 94088-65-0.
What is the molecular formula of Ethyl ((3-oxopropyl)thio)acetate?
The molecular formula of Ethyl ((3-oxopropyl)thio)acetate is C7H12O3S.
What is the molecular weight of Ethyl ((3-oxopropyl)thio)acetate?
The molecular weight of Ethyl ((3-oxopropyl)thio)acetate is 176.05 g/mol.
Where can I buy Ethyl ((3-oxopropyl)thio)acetate?
You can request a quote for Ethyl ((3-oxopropyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ((3-oxopropyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ((3-oxopropyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.