3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile
TL;DR: 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile (CAS 22353-58-8) is a chemical compound with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile
Also Known As: Maybridge3_004801, IDI1_016188, cyano(2-pyridinyl)ketenedimethyldithioacetal, 3,3-bis(methylthio)-2-(pyridin-2-yl)acrylonitrile, 3,3-bis(methylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile
| Molecular Formula | C10H10N2S2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.99978 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.02853 |
| Heavy Atoms | 14 |
| Complexity | 359.45844 |
Chemical Identifiers
| CAS Number | 22353-58-8 |
|---|---|
| SMILES | CSC(=C(C#N)C1=CC=CC=N1)SC |
Product Overview
3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile (CAS 22353-58-8), with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol. IUPAC: 3,3-bis(methylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile.
Chemical Property Profile of 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile
Property Insights of 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile
The XLogP value of 2.99978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile 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 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile?
The CAS number of 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile is 22353-58-8.
What is the molecular formula of 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile?
The molecular formula of 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile is C10H10N2S2.
What is the molecular weight of 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile?
The molecular weight of 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile is 222.03 g/mol.
Where can I buy 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile?
You can request a quote for 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(methylthio)-2-(pyridin-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.