2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-
TL;DR: 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- (CAS 67686-46-8) is a chemical compound with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)-1-pyridin-4-ylprop-2-en-1-one
Also Known As: Maybridge3_001501, IDI1_012888, 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-, 3,3-bis(methylsulfanyl)-1-pyridin-4-ylprop-2-en-1-one, 3,3-BIS(METHYLSULFANYL)-1-(PYRIDIN-4-YL)PROP-2-EN-1-ONE
| Molecular Formula | C10H11NOS2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 2.8317 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.02821 |
| Heavy Atoms | 14 |
| Complexity | 329.23505 |
Chemical Identifiers
| CAS Number | 67686-46-8 |
|---|---|
| SMILES | CSC(=CC(=O)C1=CC=NC=C1)SC |
Product Overview
2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- (CAS 67686-46-8), with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol. IUPAC: 3,3-bis(methylsulfanyl)-1-pyridin-4-ylprop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-
Property Insights of 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-
The XLogP value of 2.8317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-. With a topological polar surface area (TPSA) of 29.96 Ų, 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- 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 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-?
The CAS number of 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- is 67686-46-8.
What is the molecular formula of 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-?
The molecular formula of 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- is C10H11NOS2.
What is the molecular weight of 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-?
The molecular weight of 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- is 225.03 g/mol.
Where can I buy 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-?
You can request a quote for 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 3,3-bis(methylthio)-1-(4-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.