Methyl 3-(ethylsulfanyl)propanoate
TL;DR: Methyl 3-(ethylsulfanyl)propanoate (CAS 18673-13-7) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethylsulfanylpropanoate
Also Known As: Methyl 3-(ethylsulfanyl)propanoate, methyl 3-ethylsulfanylpropanoate, methyl 3-ethylthiopropionate, Propanoic acid, methyl ester, Propionic acid, methyl ester
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 18673-13-7 |
|---|---|
| SMILES | CCSCCC(=O)OC |
| InChIKey | HKZAEFYOTHDMNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(ethylsulfanyl)propanoate (CAS 18673-13-7), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: methyl 3-ethylsulfanylpropanoate.
Chemical Property Profile of Methyl 3-(ethylsulfanyl)propanoate
Property Insights of Methyl 3-(ethylsulfanyl)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(ethylsulfanyl)propanoate. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 3-(ethylsulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(ethylsulfanyl)propanoate 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 Methyl 3-(ethylsulfanyl)propanoate?
The CAS number of Methyl 3-(ethylsulfanyl)propanoate is 18673-13-7.
What is the molecular formula of Methyl 3-(ethylsulfanyl)propanoate?
The molecular formula of Methyl 3-(ethylsulfanyl)propanoate is C6H12O2S.
What is the molecular weight of Methyl 3-(ethylsulfanyl)propanoate?
The molecular weight of Methyl 3-(ethylsulfanyl)propanoate is 148.06 g/mol.
Where can I buy Methyl 3-(ethylsulfanyl)propanoate?
You can request a quote for Methyl 3-(ethylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(ethylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(ethylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.