Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide
TL;DR: Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide (CAS 3166-30-1) is a chemical compound with molecular formula C13H12BrNOS and molecular weight 308.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-pyridin-2-ylsulfanylethanone;hydrobromide
Also Known As: 2-Benzylmethylthiopyridine hydrobromide, Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide, 1-Phenyl-2-(2-pyridinylthio)ethanone hydrobromide, 2-benzoylmethylthiopyridine hydrobromide, 1-phenyl-2-pyridin-2-ylsulfanylethanone hydrobromide
| Molecular Formula | C13H12BrNOS |
|---|---|
| Molecular Weight | 308.98 g/mol |
| LogP | 3.6345 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.9823 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 3166-30-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=CC=CC=N2.Br |
| InChIKey | ZDMLUKJLNPFJKW-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide (CAS 3166-30-1), with molecular formula C13H12BrNOS and molecular weight 308.98 g/mol. IUPAC: 1-phenyl-2-pyridin-2-ylsulfanylethanone;hydrobromide.
Chemical Property Profile of Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide
Property Insights of Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide
The XLogP value of 3.6345 indicates that Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide has 1 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, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide?
The CAS number of Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide is 3166-30-1.
What is the molecular formula of Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide?
The molecular formula of Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide is C13H12BrNOS.
What is the molecular weight of Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide?
The molecular weight of Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide is 308.98 g/mol.
Where can I buy Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide?
You can request a quote for Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide 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-pyridinylthio)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-phenyl-2-(2-pyridinylthio)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.