Thietan-3-yl acetate
TL;DR: Thietan-3-yl acetate (CAS 5905-55-5) is a chemical compound with molecular formula C5H8O2S and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thietan-3-yl acetate
Also Known As: thietan-3-yl acetate, 3-Thietanylacetat, 3-thietanol acetate, 3-thietanyl acetate, RefChem:385066
| Molecular Formula | C5H8O2S |
|---|---|
| Molecular Weight | 132.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.0245 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 5905-55-5 |
|---|---|
| SMILES | CC(=O)OC1CSC1 |
| InChIKey | DFAXRLAGJYTAPU-UHFFFAOYSA-N |
Product Overview
Thietan-3-yl acetate (CAS 5905-55-5), with molecular formula C5H8O2S and molecular weight 132.02 g/mol. IUPAC: thietan-3-yl acetate.
Chemical Property Profile of Thietan-3-yl acetate
Property Insights of Thietan-3-yl acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thietan-3-yl acetate. With a topological polar surface area (TPSA) of 51.6 Ų, Thietan-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thietan-3-yl acetate 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 Thietan-3-yl acetate?
The CAS number of Thietan-3-yl acetate is 5905-55-5.
What is the molecular formula of Thietan-3-yl acetate?
The molecular formula of Thietan-3-yl acetate is C5H8O2S.
What is the molecular weight of Thietan-3-yl acetate?
The molecular weight of Thietan-3-yl acetate is 132.02 g/mol.
Where can I buy Thietan-3-yl acetate?
You can request a quote for Thietan-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thietan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Thietan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.