Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester
TL;DR: Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester (CAS 98164-06-8) is a chemical compound with molecular formula C13H14O3S and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[[(3S)-2-oxo-4-phenyloxolan-3-yl]methyl] ethanethioate
Also Known As: S-(Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ethanethioate, Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester, O-[(2-Oxo-4-phenyloxolan-3-yl)methyl] ethanethioate, O-[[(3S)-2-oxo-4-phenyloxolan-3-yl]methyl] ethanethioate, O-{[(3S)-2-Oxo-4-phenyloxolan-3-yl]methyl} ethanethioate
| Molecular Formula | C13H14O3S |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 2.3071 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.06636 |
| Heavy Atoms | 17 |
| Complexity | 415.93256 |
Chemical Identifiers
| CAS Number | 98164-06-8 |
|---|---|
| SMILES | CC(=S)OC[C@@H]1C(COC1=O)C2=CC=CC=C2 |
Product Overview
Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester (CAS 98164-06-8), with molecular formula C13H14O3S and molecular weight 250.07 g/mol. IUPAC: O-[[(3S)-2-oxo-4-phenyloxolan-3-yl]methyl] ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester
Property Insights of Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester
The XLogP value of 2.3071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester has 0 hydrogen bond donor(s) and 4 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 Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester?
The CAS number of Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester is 98164-06-8.
What is the molecular formula of Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester?
The molecular formula of Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester is C13H14O3S.
What is the molecular weight of Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester?
The molecular weight of Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester is 250.07 g/mol.
Where can I buy Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester?
You can request a quote for Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.