Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-
TL;DR: Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- (CAS 61657-02-1) is a chemical compound with molecular formula C13H11NOS and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(2-sulfanylidene-1-pyridinyl)ethanone
Also Known As: N-phenacylpyridine-2-thione, 1-Phenacyl-1H-pyridin-2-thion, 1-phenyl-2-(2-thioxopyridin-1(2H)-yl)ethanone, Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-, 1-phenyl-2-(2-sulfanylidenepyridin-1-yl)ethanone
| Molecular Formula | C13H11NOS |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 3.10049 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.05614 |
| Heavy Atoms | 16 |
| Complexity | 545.11395 |
Chemical Identifiers
| CAS Number | 61657-02-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C=CC=CC2=S |
Product Overview
Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- (CAS 61657-02-1), with molecular formula C13H11NOS and molecular weight 229.06 g/mol. IUPAC: 1-phenyl-2-(2-sulfanylidene-1-pyridinyl)ethanone.
Chemical Property Profile of Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-
Property Insights of Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-
The XLogP value of 3.10049 indicates that Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- has 0 hydrogen bond donor(s) and 2 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, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-?
The CAS number of Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- is 61657-02-1.
What is the molecular formula of Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-?
The molecular formula of Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- is C13H11NOS.
What is the molecular weight of Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-?
The molecular weight of Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- is 229.06 g/mol.
Where can I buy Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-?
You can request a quote for Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-phenyl-2-(2-thioxo-1(2H)-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.