2-Methylsulfanyl-1-(3-pyridyl)ethanone
TL;DR: 2-Methylsulfanyl-1-(3-pyridyl)ethanone (CAS 208264-94-2) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1-pyridin-3-ylethanone
Also Known As: 3-(Methylthioacetyl) pyidine, 3-[(Methylthio)acetyl]pyridine, 2-methylsulfanyl-1-(3-pyridyl)ethanone, ethanone, 2-(methylthio)-1-(3-pyridinyl)-, 2-methylsulfanyl-1-pyridin-3-ylethanone
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 208264-94-2 |
|---|---|
| SMILES | CSCC(=O)C1=CN=CC=C1 |
| InChIKey | VPAQLZGHJBLSHL-UHFFFAOYSA-N |
Product Overview
2-Methylsulfanyl-1-(3-pyridyl)ethanone (CAS 208264-94-2), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: 2-methylsulfanyl-1-pyridin-3-ylethanone.
Chemical Property Profile of 2-Methylsulfanyl-1-(3-pyridyl)ethanone
Property Insights of 2-Methylsulfanyl-1-(3-pyridyl)ethanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylsulfanyl-1-(3-pyridyl)ethanone. With a topological polar surface area (TPSA) of 55.3 Ų, 2-Methylsulfanyl-1-(3-pyridyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylsulfanyl-1-(3-pyridyl)ethanone 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 2-Methylsulfanyl-1-(3-pyridyl)ethanone?
The CAS number of 2-Methylsulfanyl-1-(3-pyridyl)ethanone is 208264-94-2.
What is the molecular formula of 2-Methylsulfanyl-1-(3-pyridyl)ethanone?
The molecular formula of 2-Methylsulfanyl-1-(3-pyridyl)ethanone is C8H9NOS.
What is the molecular weight of 2-Methylsulfanyl-1-(3-pyridyl)ethanone?
The molecular weight of 2-Methylsulfanyl-1-(3-pyridyl)ethanone is 167.04 g/mol.
Where can I buy 2-Methylsulfanyl-1-(3-pyridyl)ethanone?
You can request a quote for 2-Methylsulfanyl-1-(3-pyridyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylsulfanyl-1-(3-pyridyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfanyl-1-(3-pyridyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.