1-Phenylthio-1-acetoxy-2-propanone
TL;DR: 1-Phenylthio-1-acetoxy-2-propanone (CAS 22198-56-7) is a chemical compound with molecular formula C11H12O3S and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1-phenylsulfanylpropyl) acetate
Also Known As: 1-acetoxy-1-phenylthio-2-propanone, 1-Phenylthio-1-acetoxy-2-propanone, 2-Oxo-1-(phenylsulfanyl)propyl acetate, (2-oxo-1-phenylsulfanylpropyl) acetate, 2-Oxo-1-(phenylsulfanyl)propyl acetate #
| Molecular Formula | C11H12O3S |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.05072 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 22198-56-7 |
|---|---|
| SMILES | CC(=O)C(OC(=O)C)SC1=CC=CC=C1 |
| InChIKey | XKSAUVXGTIGHRO-UHFFFAOYSA-N |
Product Overview
1-Phenylthio-1-acetoxy-2-propanone (CAS 22198-56-7), with molecular formula C11H12O3S and molecular weight 224.05 g/mol. IUPAC: (2-oxo-1-phenylsulfanylpropyl) acetate.
Chemical Property Profile of 1-Phenylthio-1-acetoxy-2-propanone
Property Insights of 1-Phenylthio-1-acetoxy-2-propanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylthio-1-acetoxy-2-propanone. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylthio-1-acetoxy-2-propanone. Following Lipinski's Rule of Five, 1-Phenylthio-1-acetoxy-2-propanone 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 1-Phenylthio-1-acetoxy-2-propanone?
The CAS number of 1-Phenylthio-1-acetoxy-2-propanone is 22198-56-7.
What is the molecular formula of 1-Phenylthio-1-acetoxy-2-propanone?
The molecular formula of 1-Phenylthio-1-acetoxy-2-propanone is C11H12O3S.
What is the molecular weight of 1-Phenylthio-1-acetoxy-2-propanone?
The molecular weight of 1-Phenylthio-1-acetoxy-2-propanone is 224.05 g/mol.
Where can I buy 1-Phenylthio-1-acetoxy-2-propanone?
You can request a quote for 1-Phenylthio-1-acetoxy-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylthio-1-acetoxy-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylthio-1-acetoxy-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.