Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester
TL;DR: Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester (CAS 35890-63-2) 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.
S-(oxan-3-yl) ethanethioate
Also Known As: S-(oxan-3-yl) ethanethioate, 1-(oxan-3-ylsulfanyl)ethan-1-one, Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester, S-(Tetrahydro-2H-pyran-3-yl) ethanethioate, S-Tetrahydro-2H-pyran-3-yl ethanethioate
| Molecular Formula | C7H12O2S |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.1 |
| 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 | 125.0 |
Chemical Identifiers
| CAS Number | 35890-63-2 |
|---|---|
| SMILES | CC(=O)SC1CCCOC1 |
| InChIKey | LRQCKGDWROVSLP-UHFFFAOYSA-N |
Product Overview
Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester (CAS 35890-63-2), with molecular formula C7H12O2S and molecular weight 160.06 g/mol. IUPAC: S-(oxan-3-yl) ethanethioate.
Chemical Property Profile of Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester
Property Insights of Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester. With a topological polar surface area (TPSA) of 51.6 Ų, Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester 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 Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester?
The CAS number of Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester is 35890-63-2.
What is the molecular formula of Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester?
The molecular formula of Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester is C7H12O2S.
What is the molecular weight of Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester?
The molecular weight of Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester is 160.06 g/mol.
Where can I buy Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester?
You can request a quote for Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.