1-(Ethylthio)acetone
TL;DR: 1-(Ethylthio)acetone (CAS 20996-62-7) is a chemical compound with molecular formula C5H10OS and molecular weight 118.045235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethylsulfanylpropan-2-one
Also Known As: (Ethylthio)acetone, acetone, 1-(Ethylthio)acetone, 1-ethylsulfanylpropan-2-one, Thioethoxy acetone
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10OS |
| Molecular Weight | 118.045235 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.045235 Da |
| Heavy Atoms | 7 |
| Complexity | 61.0 |
| SMILES | CCSCC(=O)C |
| InChIKey | ZKDXKBIOEVBFGV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Ethylthio)acetone
Property Insights of 1-(Ethylthio)acetone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethylthio)acetone. With a topological polar surface area (TPSA) of 42.4 Ų, 1-(Ethylthio)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Ethylthio)acetone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Ethylthio)acetone?
The CAS number of 1-(Ethylthio)acetone is 20996-62-7.
What is the molecular formula of 1-(Ethylthio)acetone?
The molecular formula of 1-(Ethylthio)acetone is C5H10OS.
What is the molecular weight of 1-(Ethylthio)acetone?
The molecular weight of 1-(Ethylthio)acetone is 118.045235 g/mol.
Where can I buy 1-(Ethylthio)acetone?
You can request a quote for 1-(Ethylthio)acetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Ethylthio)acetone?
Yes, CoreyChem provides custom synthesis services for 1-(Ethylthio)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.