Thian-4-yl acetate
TL;DR: Thian-4-yl acetate (CAS 40697-32-3) is a chemical compound with molecular formula C7H12O2S and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thian-4-yl acetate
Also Known As: thian-4-yl acetate, 4-Acetoxythiacyclohexane, 4-Acetoxythiacyclohexan, Tetrahydro-2H-thiopyran-4-yl acetate, Tetrahydro-2H-thiopyran-4-yl acetate #
| Molecular Formula | C7H12O2S |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.0558 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 40697-32-3 |
|---|---|
| SMILES | CC(=O)OC1CCSCC1 |
| InChIKey | GJBUDUROIZFUDY-UHFFFAOYSA-N |
Product Overview
Thian-4-yl acetate (CAS 40697-32-3), with molecular formula C7H12O2S and molecular weight 160.06 g/mol. IUPAC: thian-4-yl acetate.
Chemical Property Profile of Thian-4-yl acetate
Property Insights of Thian-4-yl acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thian-4-yl acetate. With a topological polar surface area (TPSA) of 51.6 Ų, Thian-4-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thian-4-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 Thian-4-yl acetate?
The CAS number of Thian-4-yl acetate is 40697-32-3.
What is the molecular formula of Thian-4-yl acetate?
The molecular formula of Thian-4-yl acetate is C7H12O2S.
What is the molecular weight of Thian-4-yl acetate?
The molecular weight of Thian-4-yl acetate is 160.06 g/mol.
Where can I buy Thian-4-yl acetate?
You can request a quote for Thian-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thian-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Thian-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.