Ethyl 3-methylsulfanylprop-2-enoate
TL;DR: Ethyl 3-methylsulfanylprop-2-enoate (CAS 77105-51-2) 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.
ethyl 3-methylsulfanylprop-2-enoate
Also Known As: ethyl 3-(methylsulfanyl)prop-2-enoate, FEMA No. 4564, ethyl 3-methylsulfanylprop-2-enoate, Ethyl 3-(methylthio)-2-propenoate, ethyl 3-(methyl thio)-2-propenoate
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 77105-51-2 |
|---|---|
| SMILES | CCOC(=O)C=CSC |
| InChIKey | DNNJFSSUXIAKAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-methylsulfanylprop-2-enoate (CAS 77105-51-2), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: ethyl 3-methylsulfanylprop-2-enoate.
Chemical Property Profile of Ethyl 3-methylsulfanylprop-2-enoate
Property Insights of Ethyl 3-methylsulfanylprop-2-enoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methylsulfanylprop-2-enoate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 3-methylsulfanylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methylsulfanylprop-2-enoate 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 Ethyl 3-methylsulfanylprop-2-enoate?
The CAS number of Ethyl 3-methylsulfanylprop-2-enoate is 77105-51-2.
What is the molecular formula of Ethyl 3-methylsulfanylprop-2-enoate?
The molecular formula of Ethyl 3-methylsulfanylprop-2-enoate is C6H10O2S.
What is the molecular weight of Ethyl 3-methylsulfanylprop-2-enoate?
The molecular weight of Ethyl 3-methylsulfanylprop-2-enoate is 146.04 g/mol.
Where can I buy Ethyl 3-methylsulfanylprop-2-enoate?
You can request a quote for Ethyl 3-methylsulfanylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methylsulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methylsulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.