Ethyl 2-propenesulfinate
TL;DR: Ethyl 2-propenesulfinate (CAS 145428-95-1) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl prop-2-ene-1-sulfinate
Also Known As: Ethyl 2-propenesulfinate, ethyl-2-propenesulfinate, Ethyl 2-propene sulfinate, ethyl prop-2-ene-1-sulfinate, 2-Propene-1-sulfinic acid, ethyl ester
Technical Specifications
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.04015 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.04015 Da |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
| SMILES | CCOS(=O)CC=C |
| InChIKey | FUZBQGFVQBLMHA-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-propenesulfinate
Property Insights of Ethyl 2-propenesulfinate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-propenesulfinate. With a topological polar surface area (TPSA) of 45.5 Ų, Ethyl 2-propenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-propenesulfinate 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
What is the CAS number of Ethyl 2-propenesulfinate?
The CAS number of Ethyl 2-propenesulfinate is 145428-95-1.
What is the molecular formula of Ethyl 2-propenesulfinate?
The molecular formula of Ethyl 2-propenesulfinate is C5H10O2S.
What is the molecular weight of Ethyl 2-propenesulfinate?
The molecular weight of Ethyl 2-propenesulfinate is 134.04015 g/mol.
Where can I buy Ethyl 2-propenesulfinate?
You can request a quote for Ethyl 2-propenesulfinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-propenesulfinate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-propenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.