2-Acetylthietane
TL;DR: 2-Acetylthietane (CAS 119209-96-0) is a chemical compound with molecular formula C5H8OS and molecular weight 116.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(thietan-2-yl)ethanone
Also Known As: 2-acetylthietane, xi-2-Acetylthietane, 1-(thietan-2-yl)ethanone, Ethanone, 1-(2-thietanyl)- (9CI), Ethanone, 1-(2-thietanyl)-
| Molecular Formula | C5H8OS |
|---|---|
| Molecular Weight | 116.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.02959 |
| Heavy Atoms | 7 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 119209-96-0 |
|---|---|
| SMILES | CC(=O)C1CCS1 |
| InChIKey | LHLNSXFHEGETML-UHFFFAOYSA-N |
Product Overview
2-Acetylthietane (CAS 119209-96-0), with molecular formula C5H8OS and molecular weight 116.03 g/mol. IUPAC: 1-(thietan-2-yl)ethanone.
Chemical Property Profile of 2-Acetylthietane
Property Insights of 2-Acetylthietane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylthietane. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Acetylthietane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylthietane 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
Frequently Asked Questions
What is the CAS number of 2-Acetylthietane?
The CAS number of 2-Acetylthietane is 119209-96-0.
What is the molecular formula of 2-Acetylthietane?
The molecular formula of 2-Acetylthietane is C5H8OS.
What is the molecular weight of 2-Acetylthietane?
The molecular weight of 2-Acetylthietane is 116.03 g/mol.
Where can I buy 2-Acetylthietane?
You can request a quote for 2-Acetylthietane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylthietane?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylthietane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.