1-Phenylthio-1-acetoxy-1-methyl-2-propanone
TL;DR: 1-Phenylthio-1-acetoxy-1-methyl-2-propanone (CAS 29943-31-5) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-2-phenylsulfanylbutan-2-yl) acetate
Also Known As: 3-acetoxy-3-phenylthio-2-butanone, 1-Phenylthio-1-acetoxy-1-methyl-2-propanone, 3-(Acetyloxy)-3-(phenylthio)-2-butanone, (3-oxo-2-phenylsulfanylbutan-2-yl) acetate, 3-oxo-2-(phenylsulfanyl)butan-2-yl acetate
| Molecular Formula | C12H14O3S |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.06636 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 29943-31-5 |
|---|---|
| SMILES | CC(=O)C(C)(OC(=O)C)SC1=CC=CC=C1 |
| InChIKey | FPUYOWCGHZTDRS-UHFFFAOYSA-N |
Product Overview
1-Phenylthio-1-acetoxy-1-methyl-2-propanone (CAS 29943-31-5), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: (3-oxo-2-phenylsulfanylbutan-2-yl) acetate.
Chemical Property Profile of 1-Phenylthio-1-acetoxy-1-methyl-2-propanone
Property Insights of 1-Phenylthio-1-acetoxy-1-methyl-2-propanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylthio-1-acetoxy-1-methyl-2-propanone. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylthio-1-acetoxy-1-methyl-2-propanone. Following Lipinski's Rule of Five, 1-Phenylthio-1-acetoxy-1-methyl-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-1-methyl-2-propanone?
The CAS number of 1-Phenylthio-1-acetoxy-1-methyl-2-propanone is 29943-31-5.
What is the molecular formula of 1-Phenylthio-1-acetoxy-1-methyl-2-propanone?
The molecular formula of 1-Phenylthio-1-acetoxy-1-methyl-2-propanone is C12H14O3S.
What is the molecular weight of 1-Phenylthio-1-acetoxy-1-methyl-2-propanone?
The molecular weight of 1-Phenylthio-1-acetoxy-1-methyl-2-propanone is 238.07 g/mol.
Where can I buy 1-Phenylthio-1-acetoxy-1-methyl-2-propanone?
You can request a quote for 1-Phenylthio-1-acetoxy-1-methyl-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-1-methyl-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylthio-1-acetoxy-1-methyl-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.