Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-
TL;DR: Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- (CAS 83075-05-2) is a chemical compound with molecular formula C12H14OS2 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1,3-dithiolan-2-yl)-1-phenylethanone
Also Known As: 2-Methyl-2-phenacyl-1,3-dithiolane, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenylethanone, 2-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone, 2-(2-Methyl-1,3-dithiolan-2-yl)acetophenon, Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-
| Molecular Formula | C12H14OS2 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 3.4556 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.04861 |
| Heavy Atoms | 15 |
| Complexity | 341.89957 |
Chemical Identifiers
| CAS Number | 83075-05-2 |
|---|---|
| SMILES | CC1(SCCS1)CC(=O)C2=CC=CC=C2 |
Product Overview
Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- (CAS 83075-05-2), with molecular formula C12H14OS2 and molecular weight 238.05 g/mol. IUPAC: 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenylethanone.
Chemical Property Profile of Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-
Property Insights of Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-
The XLogP value of 3.4556 indicates that Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- 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 Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-?
The CAS number of Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- is 83075-05-2.
What is the molecular formula of Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-?
The molecular formula of Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- is C12H14OS2.
What is the molecular weight of Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-?
The molecular weight of Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- is 238.05 g/mol.
Where can I buy Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-?
You can request a quote for Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.