3-bromo-2-ethylsulfanyl-2H-furan-5-one
TL;DR: 3-bromo-2-ethylsulfanyl-2H-furan-5-one (CAS 148777-29-1) is a chemical compound with molecular formula C6H7BrO2S and molecular weight 221.93501 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-2-ethylsulfanyl-2H-furan-5-one
Also Known As: 4-bromo-5-(ethylthio)furan-2(5H)-one, 4-bromo-5-ethylsulfanyl-5H-furan-2-one
Technical Specifications
| Molecular Formula | C6H7BrO2S |
| Molecular Weight | 221.93501 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.93501 Da |
| Heavy Atoms | 10 |
| Complexity | 179.0 |
| SMILES | CCSC1C(=CC(=O)O1)Br |
| InChIKey | HSTBVDZYDIFVAK-UHFFFAOYSA-N |
Chemical Property Profile of 3-bromo-2-ethylsulfanyl-2H-furan-5-one
Property Insights of 3-bromo-2-ethylsulfanyl-2H-furan-5-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-2-ethylsulfanyl-2H-furan-5-one. With a topological polar surface area (TPSA) of 51.6 Ų, 3-bromo-2-ethylsulfanyl-2H-furan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-2-ethylsulfanyl-2H-furan-5-one 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 3-bromo-2-ethylsulfanyl-2H-furan-5-one?
The CAS number of 3-bromo-2-ethylsulfanyl-2H-furan-5-one is 148777-29-1.
What is the molecular formula of 3-bromo-2-ethylsulfanyl-2H-furan-5-one?
The molecular formula of 3-bromo-2-ethylsulfanyl-2H-furan-5-one is C6H7BrO2S.
What is the molecular weight of 3-bromo-2-ethylsulfanyl-2H-furan-5-one?
The molecular weight of 3-bromo-2-ethylsulfanyl-2H-furan-5-one is 221.93501 g/mol.
Where can I buy 3-bromo-2-ethylsulfanyl-2H-furan-5-one?
You can request a quote for 3-bromo-2-ethylsulfanyl-2H-furan-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-bromo-2-ethylsulfanyl-2H-furan-5-one?
Yes, CoreyChem provides custom synthesis services for 3-bromo-2-ethylsulfanyl-2H-furan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.